SCHEMBL17490285

SCHEMBL17490285

Cc1ccc(C#N)cc1-c1c2cc3c(cc2c(-c2cc(C#N)ccc2C)c2c4cc5ccccc5c5cccc(c12)c54)c1cccc2c4ccccc4cc3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CYP1A2 P05177 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FYN P06241 2/20 0.33
ACHE P22303 2/20 0.33
AHR P35869 2/20 0.33
SLC6A2 P23975 2/20 0.33
LCK P06239 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
BRD1 O95696 1/20 0.31
TAF1 P21675 1/20 0.31

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
SCHEMBL17490298 1.00 CA1 (0.39) CA1CA2CYP1A2ALDH1A1HSD17B10
SCHEMBL17487145 0.91 CA1 (0.39) CA1CA2CYP1A2ALDH1A1HSD17B10
SCHEMBL17487146 0.91 CA1 (0.39) CA1CA2CYP1A2ALDH1A1HSD17B10
SCHEMBL23348937 0.86 CA1 (0.36) CA1CA2CYP1A2ALDH1A1HSD17B10
SCHEMBL17487130 0.81 CA1 (0.40) CA1CA2CYP1A2ALDH1A1HSD17B10
SCHEMBL17487135 0.81 CA1 (0.40) CA1CA2CYP1A2ALDH1A1HSD17B10
SCHEMBL25642001 0.81 CYP1A2 (0.36) CA1CA2CYP1A2ALDH1A1HSD17B10
SCHEMBL17490270 0.80 CYP1A2 (0.41) CA1CA2CYP1A2ALDH1A1HSD17B10
SCHEMBL17490269 0.80 CYP1A2 (0.41) CA1CA2CYP1A2ALDH1A1HSD17B10
SCHEMBL17490295 0.79 CA1 (0.37) CA1CA2CYP1A2ALDH1A1HSD17B10

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 CA1 2115/4885CA2 2411/4885CYP1A2 917/4885

“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.