SCHEMBL10140899

SCHEMBL10140899

COc1ccc(COc2c(-c3ccc(C)cc3)n[nH]c2C(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 3/20 0.40
GAA P10253 3/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP10 Q53GL7 1/20 0.40
GLA P06280 1/20 0.39
PLA2G4B P0C869 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL20307795 0.91 NPC1 (0.46) MAOBALDH1A1KDM4EHPGDMAPT
SCHEMBL16258984 0.90 LMNA (0.43) ALDH1A1KDM4EHPGDMAPTTP53
SCHEMBL16258927 0.81 RAB9A (0.48) ALDH1A1KDM4EHPGDMAPTTP53
SCHEMBL10172559 0.80 GAA (0.44) MAOBALDH1A1MAPTTP53LMNA
SCHEMBL7975685 0.79 MAPT (0.41) ALDH1A1HPGDMAPTTP53LMNA
SCHEMBL16258931 0.76 LRRK2 (0.42) ALDH1A1KDM4EMAPTTP53GAA
SCHEMBL10140900 0.72 MAOB (0.40) MAOBALDH1A1KDM4EHPGDMAPT
SCHEMBL8888564 0.71 ADORA3 (0.45) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL10140869 0.69 MEN1 (0.44) ALDH1A1HPGDMAPTLMNAPOLB
SCHEMBL760061 0.69 SMN1; SMN2 (0.64) MAOBALDH1A1KDM4EHPGDMAPT

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-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 MAOB 297/4885ALDH1A1 1022/4885KDM4E 1387/4885

“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.