SCHEMBL316967

SCHEMBL316967

Cc1ccc2o[c]cc(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 0.45
CYP3A4 P08684 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.38

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
SCHEMBL206491 0.78 GABRP (0.45) MAPTTP53CYP3A4MAPK1CSNK2A2
SCHEMBL206945 0.78 ADCY1 (0.47) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL207573 0.78 GABRP (0.47) HTTKDM4E
SCHEMBL207520 0.76 CYP2A6 (0.44) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL207427 0.72 MAOA (0.47) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL2873532 0.69
SCHEMBL266614 0.69 MAPT (0.63) MAPTHTTKDM4EALDH1A1TP53
SCHEMBL932337 0.69 MAOA (0.59) MAPTHTTKDM4EALDH1A1TP53
SCHEMBL3602274 0.68 MAPT (0.36) MAPTHTTKDM4EALDH1A1TP53
SCHEMBL208143 0.68 CYP1A2 (0.44) MAPTKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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 (2 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 MAPT 4829/4885HTT 2270/4885KDM4E 3377/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MAPT 4518/4885HTT 3134/4885KDM4E 954/4885

“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.