SCHEMBL6716969

SCHEMBL6716969

CCOc1c[c][c]cc1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 5/20 0.38
MAPT P10636 3/20 0.38
AOC3 Q16853 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 4/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GLA P06280 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 2/20 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
SCHEMBL6714209 0.78 MAPT (0.41) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL6723426 0.76 CYP1A2 (0.47) L3MBTL1MAPTMEN1KMT2ATSHR
SCHEMBL6719887 0.74 CYP1A2 (0.41) MAPTMEN1KMT2ATSHRCYP3A4
SCHEMBL6717312 0.72 NR5A1 (0.44) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL127280 0.72 ALDH1A1 (0.39) NQO1ALDH1A1L3MBTL1MAPTHPGD
SCHEMBL11491934 0.71 TSHR (0.58) NQO1ALDH1A1L3MBTL1MAPTAOC3
SCHEMBL7232392 0.71 TSHR (0.38) NQO1ALDH1A1L3MBTL1MAPTAOC3
SCHEMBL7158298 0.70 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTHPGDKDM4E
SCHEMBL294484 0.70 TSHR (0.44) NQO1ALDH1A1L3MBTL1MAPTAOC3
SCHEMBL7836633 0.69 TSHR (0.36) NQO1ALDH1A1L3MBTL1MAPTAOC3

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 NQO1 1871/4885ALDH1A1 695/4885L3MBTL1 4624/4885

“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.