SCHEMBL6426533

SCHEMBL6426533

CC(C)CC(C)C(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.40
SLC7A5 Q01650 1/20 0.40
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
ANPEP P15144 3/20 0.33
LAP3 P28838 2/20 0.33
ERAP1 Q9NZ08 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6421233 1.00 RNPEP (0.40) RNPEPSLC7A5ALDH1A1TDP1CACNA2D1
SCHEMBL782702 0.88 RNPEP (0.43) RNPEPSLC7A5ALDH1A1TDP1CACNA2D1
SCHEMBL8463220 0.77 RNPEP (0.40) RNPEPSLC7A5ALDH1A1TDP1CACNA2D1
SCHEMBL25521057 0.76 RNPEP (0.41) RNPEPSLC7A5ANPEPERAP1
SCHEMBL21764555 0.76 ENPEP (0.31) SLC7A5
SCHEMBL20457288 0.76 RNPEP (0.46) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL14191627 0.76 SLC1A3 (0.37) SLC1A3SLC1A2
SCHEMBL452363 0.74 RNPEP (0.39) RNPEPSLC7A5ALDH1A1TDP1CACNA2D1
SCHEMBL10044966 0.74 RNPEP (0.39) RNPEPSLC7A5ALDH1A1TDP1CACNA2D1
SCHEMBL15197953 0.74 BLM (0.43) ALDH1A1TDP1SLC1A3SLC1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035820-B2 Compounds which inhibit neuronal exocytosis LUBRIZOL ADVANCED MATERIALS, INC (US) 2018-07-31 US disclosed
US-20170298097-A1 Peptide Derivatives and Uses Thereof NOSOPHARM (FR) 2017-10-19 US disclosed
US-9771392-B2 Compounds which inhibit neuronal exocytosis LUBRIZOL ADVANCED MATERIALS, INC. (US) 2017-09-26 US disclosed
US-9725483-B2 Compounds for the treatment and/or care of the skin and/or mucous membranes and their use in cosmetic or pharmaceutical compositions LIPOTEC, S.A. (ES) 2017-08-08 US disclosed
US-20160220693-A1 SYNERGISTIC EFFECTS BETWEEN AURISTATIN-BASED ANTIBODY DRUG CONJUGATES AND INHIBITORS OF THE PI3K-AKT MTOR PATHWAY SEAGEN INC. 2016-08-04 US disclosed
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-03 US disclosed
US-9272052-B2 Synergistic effects between auristatin-based antibody drug conjugates and inhibitors of the PI3K-AKT mTOR pathway SEATTLE GENETICS, INC. (US) 2016-03-01 US disclosed
US-20150140046-A1 COMPOUNDS WHICH INHIBIT NEURONAL EXOCYTOSIS LUBRIZOL ADVANCED MATERIALS, INC. 2015-05-21 US disclosed
US-20150104485-A1 COMPOUNDS FOR THE TREATMENT AND/OR CARE OF THE SKIN AND/OR MUCOUS MEMBRANES AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS LUBRIZOL ADVANCED MATERIALS, INC. (US) 2015-04-16 US disclosed
US-20150098989-A1 COMPOUNDS WHICH INHIBIT NEURONAL EXOCYTOSIS LUBRIZOL ADVANCED MATERIALS, INC. 2015-04-09 US disclosed
US-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2012-01-05 US disclosed
US-20110300199-A1 PEPTIDES USED IN THE TREATMENT AND/OR CARE OF THE SKIN, MUCOUS MEMBRANES AND/OR SCALP AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS LIPOTEC, S.A. (ES) 2011-12-08 US disclosed
US-20110195102-A1 PEPTIDES USEFUL IN THE TREATMENT AND/OR CARE OF SKIN, MUCOUS MEMBRANES, SCALP AND/OR HAIR AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS LIPOTEC, S.A. (ES) 2011-08-11 US disclosed
US-20110178287-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-07-21 US disclosed
US-20110110936-A1 ANTI-GCC ANTIBODY MOLECULES AND RELATED COMPOSITIONS AND METHODS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-12 US disclosed
US-20110098237-A1 METHODS FOR INHIBITING DRUG DEGRADATION SEQUOIA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20110070248-A1 DR5 LIGAND DRUG CONJUGATES SEATTLE GENETICS, INC. (US) 2011-03-24 US disclosed
US-20110052519-A1 PEPTIDE DERIVATIVES USEFUL IN THE TREATMENT, CARE OR CLEANSING OF THE SKIN, MUCOSAE, SCALP OR NAILS PUIG, S.A. (ES) 2011-03-03 US disclosed
EP-1581474-A1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES Dompé S.P.A. (IT) 2005-10-05 EP disclosed
WO-2004052830-A1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE S.P.A. (IT) 2004-06-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150098989-A1 COMPOUNDS WHICH INHIBIT NEURONAL EXOCYTOSIS SLC18A2, SLC18A1, ATP6V1B2 RNPEP 1233/4885SLC7A5 558/4885ALDH1A1 2398/4885
US-10035820-B2 Compounds which inhibit neuronal exocytosis SLC18A2, SLC18A1, ATP6V1B2 RNPEP 1233/4885SLC7A5 558/4885ALDH1A1 2398/4885
US-20110070248-A1 DR5 LIGAND DRUG CONJUGATES TNFRSF1A, TNFSF10, TNFRSF9 RNPEP 2484/4885SLC7A5 3767/4885ALDH1A1 2427/4885
US-20160220693-A1 SYNERGISTIC EFFECTS BETWEEN AURISTATIN-BASED ANTIBODY DRUG CONJUGATES AND INHIBITORS OF THE PI3K-AKT MTOR PATHWAY MTOR, RICTOR, PIK3R5 RNPEP 1904/4885SLC7A5 481/4885ALDH1A1 3563/4885
US-20120004195-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 RNPEP 1380/4885SLC7A5 2995/4885ALDH1A1 4261/4885
US-20110052519-A1 PEPTIDE DERIVATIVES USEFUL IN THE TREATMENT, CARE OR CLEANSING OF THE SKIN, MUCOSAE, SCALP OR NAILS POLR1C, NGLY1, SSTR4 RNPEP 52/4885SLC7A5 2552/4885ALDH1A1 1420/4885
US-20110110936-A1 ANTI-GCC ANTIBODY MOLECULES AND RELATED COMPOSITIONS AND METHODS CD2BP2, UACA, COPG2 RNPEP 924/4885SLC7A5 3458/4885ALDH1A1 4609/4885
US-20110195102-A1 PEPTIDES USEFUL IN THE TREATMENT AND/OR CARE OF SKIN, MUCOUS MEMBRANES, SCALP AND/OR HAIR AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS CUTA, MC1R, NGLY1 RNPEP 172/4885SLC7A5 2324/4885ALDH1A1 1616/4885
US-20170298097-A1 Peptide Derivatives and Uses Thereof VIP, IAPP, NGLY1 RNPEP 58/4885SLC7A5 1233/4885ALDH1A1 4866/4885
US-20150140046-A1 COMPOUNDS WHICH INHIBIT NEURONAL EXOCYTOSIS SLC18A2, SLC18A1, ATP6V1B2 RNPEP 1370/4885SLC7A5 723/4885ALDH1A1 2751/4885
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC RNPEP 2203/4885SLC7A5 2176/4885ALDH1A1 2989/4885
US-20150104485-A1 COMPOUNDS FOR THE TREATMENT AND/OR CARE OF THE SKIN AND/OR MUCOUS MEMBRANES AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS MC1R, TYR, MC3R RNPEP 2263/4885SLC7A5 1915/4885ALDH1A1 1761/4885
US-20110300199-A1 PEPTIDES USED IN THE TREATMENT AND/OR CARE OF THE SKIN, MUCOUS MEMBRANES AND/OR SCALP AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS NGLY1, VIP, CUTA RNPEP 192/4885SLC7A5 2981/4885ALDH1A1 4395/4885
US-20110098237-A1 METHODS FOR INHIBITING DRUG DEGRADATION CYP2E1, CYP3A43, CYP3A5 RNPEP 244/4885SLC7A5 2130/4885ALDH1A1 262/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.