SCHEMBL22727866

SCHEMBL22727866

O=C1C(c2ccccc2)=C2C(=C1c1ccccc1Cl)c1ccc(Br)c3cccc2c13

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 14/20 0.47
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP2A6 P11509 1/20 0.38
TYMS P04818 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL75348 0.90 CYP1B1 (0.51) CYP1B1CYP1A2ALDH1A1POLBRXFP1
SCHEMBL21888318 0.88 CYP1B1 (0.47) CYP1B1CYP1A2ALDH1A1POLBRXFP1
SCHEMBL22727693 0.86 MAPT (0.40) CYP1A2ALDH1A1POLBCYP2A6TYMS
SCHEMBL14680419 0.85 CYP1B1 (0.49) CYP1B1CYP1A2ALDH1A1POLBRXFP1
SCHEMBL21888684 0.84 CYP1B1 (0.46) CYP1B1CYP1A2ALDH1A1POLBRXFP1
SCHEMBL21888320 0.82 CYP1B1 (0.47) CYP1B1CYP1A2ALDH1A1POLBRXFP1
SCHEMBL14680338 0.76 CYP1B1 (0.49) CYP1B1CYP1A2ALDH1A1POLBRXFP1
SCHEMBL15028262 0.75 MAPT (0.47) CYP1A2ALDH1A1KDM4EMEN1NPC1
SCHEMBL14680520 0.74 CYP1B1 (0.43) CYP1B1CYP1A2ALDH1A1POLBRXFP1
SCHEMBL15457926 0.73 CYP1A2 (0.58) CYP1B1CYP1A2ALDH1A1POLBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200377433-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2020-12-03 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-20200377433-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CCNL2, MCM4, CCNT1 CYP1B1 464/4885CYP1A2 239/4885ALDH1A1 367/4885

“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.