SCHEMBL4879417

SCHEMBL4879417

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36
FFAR3 O14843 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ELANE P08246 1/20 0.34
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL28035644 0.86 AKR1B1 (0.39) TDP1MEN1KMT2AALDH1A1FFAR1
SCHEMBL410406 0.81 MEN1 (0.38) TDP1MEN1KMT2AALDH1A1ELANE
SCHEMBL2467542 0.80 LDHA (0.40) TDP1MEN1KMT2AALDH1A1LDHA
SCHEMBL1304727 0.78 LDHA (0.38) TDP1MEN1KMT2AALDH1A1LDHA
SCHEMBL8897022 0.77 TDP1 (0.37) TDP1MEN1KMT2AALDH1A1FFAR3
SCHEMBL19318349 0.76 TDP1 (0.48) TDP1MEN1KMT2AFFAR3HDAC3
SCHEMBL28946097 0.75 CES1 (0.41) TDP1MEN1KMT2AALDH1A1FFAR3
SCHEMBL11356460 0.74 LDHA (0.35) TDP1MEN1KMT2AALDH1A1LDHA
SCHEMBL21938427 0.74 MEN1 (0.37) TDP1MEN1KMT2AALDH1A1ELANE
SCHEMBL23056882 0.74 GPR84 (0.56) TDP1MEN1KMT2AALDH1A1FFAR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524917-B2 6-substituted indole-3-carboxylic acid amide compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2013-09-03 US disclosed
US-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis ALLERGAN, INC. 2008-07-17 US disclosed
WO-2007034997-A2 FLUORESCENT LAMP SHOWA DENKO K.K. (JP) 2007-03-29 WO disclosed
WO-2007013640-A1 Y2O3 FILM AND PROCESS FOR PRODUCING THE SAME SHOWA DENKO K.K. (JP) 2007-02-01 WO disclosed
EP-1326607-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING OXAPENEM-3-CARBOXILIC ACIDS Amura Limited (GB) 2003-07-16 EP disclosed
WO-2002032423-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING OXAPENEM-3-CARBOXYLIC ACIDS AMURA LIMITED (GB) 2002-04-25 WO disclosed
EP-0125253-A1 A PROCESS FOR THE PREPARATION OF 3-HYDROXY-ISOXAZOLOLE A/S CHEMINOVA (DK) 1984-11-21 EP disclosed
WO-1984001774-A1 A PROCESS FOR THE PREPARATION OF 3-HYDROXY-ISOXAZOLOLE CHEMINOVA AS (DK) 1984-05-10 WO disclosed
US-3993637-A Chelatable triazolylazo-N-alkyl(cycloalkyl)acylacetamide dyes EASTMAN KODAK COMPANY (US) 1976-11-23 US 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 (1 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-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis PTGIR, S1PR1, TBXA2R TDP1 512/4885MEN1 2449/4885KMT2A 2192/4885

“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.