SCHEMBL6714209

SCHEMBL6714209

CCCOc1c[c][c]cc1OCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
CSNK2A1 P68400 2/20 0.37
TLR8 Q9NR97 1/20 0.35
MCHR1 Q99705 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL6723426 0.87 CYP1A2 (0.47) MAPTKMT2AMEN1GAATLR8
SCHEMBL6719887 0.85 CYP1A2 (0.41) MAPTKMT2AMEN1TP53TLR8
SCHEMBL6717312 0.83 NR5A1 (0.44) MAPTKMT2AALDH1A1MEN1TP53
SCHEMBL6716969 0.78 NQO1 (0.41) MAPTKMT2AALDH1A1POLBKDM4E
SCHEMBL687572 0.75 MAPT (0.39) MAPTKMT2AALDH1A1POLBKDM4E
SCHEMBL6720108 0.73 SMN1; SMN2 (0.41) MAPTALDH1A1ATMCSNK2A1CYP1A2
SCHEMBL6627059 0.73 ALDH1A1 (0.37) MAPTKMT2AALDH1A1POLBKDM4E
SCHEMBL7849136 0.72 LTA4H (0.38) MAPTKMT2AALDH1A1POLBKDM4E
SCHEMBL314353 0.71 KDM4E (0.37) MAPTKMT2AALDH1A1POLBKDM4E
SCHEMBL6200525 0.71 L3MBTL1 (0.41) MAPTKMT2AALDH1A1POLBKDM4E

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-20040142952-A1 Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-07-22 US disclosed
EP-1364953-A1 TRIAZOLOQUINAZOLINE AND PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES, MEDICINAL COMPOSITIONS, ADENOSINE A3 RECEPTOR AFFINITY AGENTS, OCULAR TENSION LOWERING AGENTS, PREPARATIONS FOR PREVENTING AND TREATING GLAUCOMA AND METHOD OF LOWERING OCULAR TENSION OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2003-11-26 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-20040142952-A1 Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension ADORA3, ADORA1, ADORA2A MAPT 2775/4885KMT2A 3349/4885ALDH1A1 695/4885

“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.