SCHEMBL22727720

SCHEMBL22727720

Cc1ccccc1-c1c2cc3c4cccc5cccc(c54)c3c3c4ccccc4c(c4c5ccc6c7ccc8c9c(ccc(c%10ccc(c14)c5c%106)c97)-c1ccc(C#N)cc1-8)c23

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
CASP1 P29466 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
STK10 O94804 1/20 0.31
SLK Q9H2G2 1/20 0.31
CYP19A1 P11511 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
TP53 P04637 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL20149201 0.88 AR (0.33) PARP14
SCHEMBL23349021 0.81 CA1 (0.36) PARP14CA1CA2ALDH1A1HPGD
SCHEMBL23348937 0.81 CA1 (0.36) PARP14CA1CA2ALDH1A1HPGD
SCHEMBL22727674 0.80 ALDH1A1 (0.32) CA1CA2ALDH1A1HPGDTSHR
SCHEMBL23805917 0.80 ATM (0.35) PARP14ALDH1A1
SCHEMBL20149202 0.77 AR (0.34) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL23081551 0.77 PARP14 (0.33) PARP14ALDH1A1
SCHEMBL22727844 0.77 TDP1 (0.31)
SCHEMBL23805918 0.77 AR (0.36) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL22328881 0.76 DPP4 (0.35) CA1CA2ALDH1A1TSHRHSD17B10

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 PARP14 3039/4885CA1 1386/4885CA2 2105/4885

“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.