SCHEMBL6656342

SCHEMBL6656342

COc1ccc(/C(Cl)=C/C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
HPGD P15428 2/20 0.50
TCF4 P15884 1/20 0.50
CTNNB1 P35222 1/20 0.50
PARP1 P09874 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL6656347 1.00 CA1 (0.57) CA1CA2CES2CES1HPGD
SCHEMBL6656346 1.00 CA1 (0.57) CA1CA2CES2CES1HPGD
SCHEMBL8023079 0.87 CES2 (0.55) CA1CA2CES2CES1HPGD
SCHEMBL28417426 0.83 CES2 (0.59) CA1CA2CES2CES1CYP2C19
SCHEMBL28427034 0.83 CES2 (0.59) CA1CA2CES2CES1CYP2C19
SCHEMBL17200993 0.81 CA1 (0.61) CA1CA2CES2CES1PARP1
SCHEMBL17200992 0.81 CA1 (0.61) CA1CA2CES2CES1PARP1
SCHEMBL17714706 0.81 CA1 (0.61) CA1CA2CES2CES1PARP1
SCHEMBL2019776 0.81 CA1 (0.61) CA1CA2CES2CES1HPGD
SCHEMBL28858524 0.80 CES2 (0.56) CA1CA2CES2CES1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254241-A1 Enzyme inhibitor; cognition activators KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-12-16 US disclosed
EP-1431280-A1 ARYL SULFAMATE DERIVATIVES Kyowa Hakko Kogyo Co., Ltd (JP) 2004-06-23 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 (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-20040254241-A1 Enzyme inhibitor; cognition activators SULT1A1, STS, CYP26A1 CA1 147/4885CA2 465/4885CES2 18/4885

“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.