SCHEMBL29344301

SCHEMBL29344301

c1ccc2c(c1)ccc1c3cc(-c4ccc5sc6c7ccccc7ccc6c5c4)ccc3sc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 6/20 0.47
CYP1A1 P04798 5/20 0.47
CYP1A2 P05177 3/20 0.47
HPRT1 P00492 3/20 0.40
LIMK1 P53667 1/20 0.40
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HIF1A Q16665 1/20 0.38
F9 P00740 2/20 0.37
MAPT P10636 2/20 0.36
PRNP P04156 1/20 0.36
GPR3 P46089 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL15893277 0.97 CYP1B1 (0.45) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL15945887 0.95 CYP1B1 (0.44) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL15945889 0.95 CYP1B1 (0.44) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL15945888 0.95 CYP1A1 (0.44) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL15893272 0.94 CYP1A1 (0.43) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL22789798 0.92 CYP1A1 (0.49) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL21346371 0.92 CYP1B1 (0.42) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL15893273 0.91 CYP1A1 (0.48) CYP1B1CYP1A1CYP1A2LIMK1ALOX5
SCHEMBL17382939 0.91 CYP1A1 (0.41) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL16133180 0.91 CYP1A1 (0.44) CYP1B1CYP1A1CYP1A2HPRT1LIMK1

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-20240244859-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2024-07-18 US disclosed
US-20240244859-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2024-07-18 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-20240244859-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE APBA1, OLA1, AOC2 CYP1B1 8/4885CYP1A1 22/4885CYP1A2 71/4885

“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.