SCHEMBL17487162

SCHEMBL17487162

CC1=C2C(=C(C)C1=O)c1cc3ccccc3c3cccc2c13

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
HSD17B10 Q99714 5/20 0.58
HPGD P15428 4/20 0.58
CASP1 P29466 3/20 0.58
HIF1A Q16665 3/20 0.58
TSHR P16473 2/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CES1 P23141 2/20 0.46
KDM4E B2RXH2 3/20 0.42
PABPC1 P11940 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 3/20 0.41
MAOA P21397 2/20 0.41
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
ATM Q13315 1/20 0.39

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
SCHEMBL10304455 0.81 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDCASP1HIF1A
SCHEMBL1627194 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDCASP1HIF1A
SCHEMBL18845631 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDCASP1HIF1A
SCHEMBL10304488 0.75 CASP1 (0.70) ALDH1A1HSD17B10HPGDCASP1HIF1A
Benzo[B]Fluoranthene SCHEMBL29373899 0.74 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDCASP1HIF1A
Benzo[B]Fluoranthene SCHEMBL29503670 0.74 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDCASP1HIF1A
Benzo[B]Fluoranthene SCHEMBL175779 0.74 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDCASP1HIF1A
Benzo[B]Fluoranthene SCHEMBL30626366 0.74 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDCASP1HIF1A
SCHEMBL9041820 0.74 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDCASP1HIF1A
SCHEMBL17487173 0.73 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDCASP1HIF1A

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-9472766-B2 Fused polycyclic compound and organic light emitting element including the same CANON KABUSHIKI KAISHA (JP) 2016-10-18 US disclosed
US-20160035982-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2016-02-04 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-20160035982-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME NR2E3, PUF60, CRY2 ALDH1A1 897/4885HSD17B10 972/4885HPGD 3473/4885

“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.