SCHEMBL3979604

SCHEMBL3979604

COC(=O)c1cc(-c2ccc(F)c(Cl)c2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
CASP3 P42574 1/20 0.47
KMT2A Q03164 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
ALDH1A1 P00352 3/20 0.45
FYN P06241 1/20 0.44
PTGS2 P35354 1/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL3979148 0.81 ACMSD (0.59) CA1CA2MEN1KMT2AERCC1
SCHEMBL11692721 0.81 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL29654682 0.81 ABL1 (0.63) MAPTMEN1CASP3KMT2ASENP7
SCHEMBL24524941 0.81 ABL1 (0.63) MAPTMEN1CASP3KMT2ASENP7
SCHEMBL3143988 0.81 GAA (0.49) MAPTMEN1CASP3KMT2ASENP7
SCHEMBL3978041 0.80 ERCC1 (0.50) CA1CA2MEN1KMT2AERCC1
SCHEMBL3978045 0.80 CASP1 (0.57) MEN1KMT2AERCC1ERCC4HSD17B1
SCHEMBL15920894 0.80 MAPT (0.65) CA12CA1CA2CA7CA9
SCHEMBL5926859 0.79 ALOX5 (0.42) MEN1KMT2AERCC1ERCC4HSD17B1
SCHEMBL5926863 0.79 CDK1 (0.44) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 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 (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-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 CA12 3931/4885CA1 4618/4885CA2 3947/4885

“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.