SCHEMBL1505151

SCHEMBL1505151

COCCOc1nccc(C)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.40
TSHR P16473 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CYP17A1 P05093 1/20 0.36
IKBKB O14920 1/20 0.36
PADI4 Q9UM07 1/20 0.35
HCAR3 P49019 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
SYK P43405 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MAPK1 P28482 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
SCHEMBL6778621 0.86 MAPK8 (0.41) CNR1CNR2IKBKBKDM4EKMT2A
SCHEMBL16041735 0.82 HCRTR2 (0.42) TSHRCNR1CNR2KDM4EKMT2A
SCHEMBL12794738 0.82 POLB (0.43) CNR1CNR2KDM4ETDP1KDM5A
SCHEMBL30953729 0.74 FLT4 (0.37) TSHRPADI4HCAR3KDM4EHTT
SCHEMBL1505205 0.74 KDM4E (0.50) GRM4TSHRKDM4EHTTTDP1
SCHEMBL10699924 0.74 ALDH1A1 (0.45) HTTKMT2ATDP1
SCHEMBL12983459 0.74 PIK3CD (0.39) GRM4KMT2AMAPK1
SCHEMBL28368341 0.73 ALDH1A1 (0.50) KMT2ATDP1
SCHEMBL3448711 0.73 CNR1 (0.40) TSHRCNR1CNR2CYP17A1PADI4
SCHEMBL4016511 0.72 CNR1 (0.34) CNR1CNR2KDM4E

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
WO-2011027156-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 WO disclosed
US-20110059043-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 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-20110059043-A1 CHEMICAL COMPOUNDS CYP2E1, CNR1, CYP3A5 GRM4 510/4885TSHR 598/4885CNR1 2/4885

“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.