SCHEMBL4404540

SCHEMBL4404540

CCn1nnnc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
SOS1 Q07889 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.32
SLC9A1 P19634 1/20 0.31
NPC1 O15118 2/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
ALOX15 P16050 1/20 0.30
CYP1A2 P05177 3/20 0.30
MEN1 O00255 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4413092 0.83 CYP1A2 (0.42) ALDH1A1KMT2ALMNASMN1; SMN2SLC9A1
SCHEMBL4405814 0.80 ALDH1A1 (0.44) ALDH1A1KMT2ALMNASOS1TSHR
SCHEMBL4403852 0.80 ALDH1A1 (0.44) ALDH1A1KMT2ALMNASOS1TSHR
SCHEMBL22952515 0.80 LMNA (0.38) ALDH1A1KMT2ALMNA
SCHEMBL4407082 0.80 LMNA (0.33) ALDH1A1KMT2ALMNA
SCHEMBL4409069 0.79 KMT2A (0.41) ALDH1A1KMT2ALMNATSHRSLC9A1
SCHEMBL14420947 0.78 ALDH1A1 (0.42) ALDH1A1KMT2ALMNASOS1TSHR
SCHEMBL4404184 0.78 SLC9A1 (0.40) KMT2ALMNASLC9A1MEN1CYP2C19
SCHEMBL4408134 0.77 ALDH1A1 (0.41) ALDH1A1KMT2ALMNASOS1TSHR
SCHEMBL4405725 0.77 CNR2 (0.43) ALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787480-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2020-09-29 US disclosed
US-9988420-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2018-06-05 US disclosed
US-9873705-B2 Vinylogous thioester compounds and methods of use THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2018-01-23 US disclosed
US-9873705-B2 Vinylogous thioester compounds and methods of use THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2018-01-23 US disclosed
US-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-01 US disclosed
US-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-01 US disclosed
US-8394951-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS INC. (US) 2013-03-12 US disclosed
US-20100184755-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-07-22 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP 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 (3 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-10787480-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP ALDH1A1 3311/4885KMT2A 4528/4885LMNA 3801/4885
US-20100184755-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885KMT2A 3505/4885LMNA 892/4885
US-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE ACOT7, LYPLA2, PPT1 ALDH1A1 1113/4885KMT2A 1205/4885LMNA 1662/4885

“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.