SCHEMBL22170336

SCHEMBL22170336

COc1cc(/C=C/c2ccncc2)c(OC)cc1/C=C/c1ccncc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 8/20 0.73
CYP1B1 Q16678 8/20 0.73
MAPT P10636 4/20 0.66
HPGD P15428 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
ALDH1A1 P00352 1/20 0.66
KDM4E B2RXH2 2/20 0.61
HSD17B10 Q99714 1/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 7/20 0.59
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ROCK2 O75116 1/20 0.54
MAP4K4 O95819 1/20 0.54
PRKACA P17612 1/20 0.54
ROCK1 Q13464 1/20 0.54

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
SCHEMBL4204804 1.00 CYP1A1 (0.73) CYP1A1CYP1B1MAPTHPGDSMN1; SMN2
SCHEMBL22009094 0.96 CYP1A1 (0.69) CYP1A1CYP1B1MAPTHPGDSMN1; SMN2
SCHEMBL22009175 0.92 CYP1A1 (0.63) CYP1A1CYP1B1MAPTHPGDSMN1; SMN2
SCHEMBL22009093 0.87 CYP1A1 (0.61) CYP1A1CYP1B1MAPTHPGDSMN1; SMN2
SCHEMBL5575881 0.86 CYP1A1 (0.57) CYP1A1CYP1B1MAPTHPGDSMN1; SMN2
SCHEMBL5575875 0.86 CYP1A1 (0.57) CYP1A1CYP1B1MAPTHPGDSMN1; SMN2
SCHEMBL10423997 0.84 CYP1A1 (1.00) CYP1A1CYP1B1MAPTHPGDSMN1; SMN2
SCHEMBL10423998 0.84 CYP1A1 (1.00) CYP1A1CYP1B1MAPTHPGDSMN1; SMN2
SCHEMBL22009552 0.84 CYP1A1 (0.77) CYP1A1CYP1B1MAPTHPGDSMN1; SMN2
SCHEMBL11469960 0.81 NFE2L2 (0.73) CYP1A1CYP1B1MAPTHPGDSMN1; SMN2

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-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

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 2550/4885MAPT 1032/4885

“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.