SCHEMBL22009168

SCHEMBL22009168

COc1cc(OC)c(/C=C/c2ccncc2)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.69
CYP1B1 Q16678 7/20 0.69
CYP1A2 P05177 7/20 0.69
HPGD P15428 3/20 0.62
KDM4E B2RXH2 3/20 0.62
CYP3A4 P08684 3/20 0.62
CYP2C19 P33261 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
MAPT P10636 4/20 0.60
ALDH1A1 P00352 2/20 0.60
ROCK2 O75116 1/20 0.58
MAP4K4 O95819 1/20 0.58
PRKACA P17612 1/20 0.58
ROCK1 Q13464 1/20 0.58
DYRK1A Q13627 1/20 0.58
NTRK3 Q16288 1/20 0.58

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
SCHEMBL7047642 0.82 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2HPGDKDM4E
SCHEMBL7047647 0.82 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2HPGDKDM4E
SCHEMBL10423998 0.80 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2HPGDKDM4E
SCHEMBL10423997 0.80 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2HPGDKDM4E
SCHEMBL23743198 0.79 CYP1A1 (0.51) CYP1A1CYP1B1CYP1A2HPGDKDM4E
SCHEMBL8050491 0.77 CYP1A2 (1.00) CYP1A1CYP1B1CYP1A2HPGDKDM4E
SCHEMBL8046590 0.77 CYP1A2 (1.00) CYP1A1CYP1B1CYP1A2HPGDKDM4E
SCHEMBL4937505 0.77 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2HPGDSMN1; SMN2
SCHEMBL4937507 0.77 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2HPGDSMN1; SMN2
SCHEMBL22009552 0.77 CYP1A1 (0.77) CYP1A1CYP1B1CYP1A2HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200284946-A1 ORGANIC OPTICAL MATERIAL JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2020-09-10 US disclosed
EP-3674381-A1 ORGANIC OPTICAL MATERIAL Japan Science and Technology Agency (JP) 2020-07-01 EP disclosed
EP-3041904-B1 STYRYL SULFIDE DYES BASF SE (DE) 2020-05-20 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-20200284946-A1 ORGANIC OPTICAL MATERIAL SLC43A1, SLCO4C1, SLCO1A2 CYP1A1 2268/4885CYP1B1 2550/4885CYP1A2 2498/4885

“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.