SCHEMBL12205385

SCHEMBL12205385

Fc1ccccc1-c1cc2c3cc4c(cc3c(-c3ccccc3F)cc2c2cc3c(cc12)-c1cccc2cccc-3c12)-c1cccc2cccc-4c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPK1 P28482 4/20 0.55
HSD17B10 Q99714 4/20 0.55
TSHR P16473 3/20 0.55
CASP1 P29466 3/20 0.55
HPGD P15428 3/20 0.55
CASP7 P55210 2/20 0.55
HIF1A Q16665 2/20 0.55
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 2/20 0.50
CYP3A4 P08684 1/20 0.41
PABPC1 P11940 1/20 0.41
DNMT1 P26358 1/20 0.41
NPC1 O15118 2/20 0.40
AHR P35869 1/20 0.38
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL405253 0.80 ALDH1A1 (0.70) ALDH1A1MAPK1HSD17B10TSHRCASP1
SCHEMBL23081257 0.77 ALDH1A1 (0.59) ALDH1A1MAPK1HSD17B10TSHRCASP1
SCHEMBL15960556 0.76 ALDH1A1 (0.48) ALDH1A1MAPK1HSD17B10TSHRCASP1
SCHEMBL8097609 0.76 ALDH1A1 (0.64) ALDH1A1MAPK1HSD17B10TSHRCASP1
SCHEMBL25009045 0.76 ALDH1A1 (0.52) ALDH1A1MAPK1HSD17B10TSHRCASP1
SCHEMBL22824062 0.74 ALDH1A1 (0.50) ALDH1A1MAPK1HSD17B10TSHRCASP1
SCHEMBL23347093 0.74 ALDH1A1 (0.50) ALDH1A1MAPK1HSD17B10TSHRCASP1
SCHEMBL25009032 0.73 MAPK1 (0.48) ALDH1A1MAPK1HSD17B10TSHRCASP1
SCHEMBL23347102 0.73 ALDH1A1 (0.48) ALDH1A1MAPK1HSD17B10TSHRCASP1
SCHEMBL25009471 0.73 ALDH1A1 (0.44) ALDH1A1MAPK1HSD17B10TSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951648-B2 Diacenaphtho[1,2-b:1′,2′-k]chrysene derivative CANON KABUSHIKI KAISHA (JP) 2015-02-10 US disclosed
US-8951648-B2 Diacenaphtho[1,2-b:1′,2′-k]chrysene derivative CANON KABUSHIKI KAISHA (JP) 2015-02-10 US disclosed
US-20110251446-A1 DIACENAPHTHO[1,2-b:1',2'-k]CHRYSENE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2011-10-13 US disclosed
US-20110251446-A1 DIACENAPHTHO[1,2-b:1',2'-k]CHRYSENE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2011-10-13 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-20110251446-A1 DIACENAPHTHO[1,2-b:1',2'-k]CHRYSENE DERIVATIVE DNAJB12, DNAJA1, DNAJA2 ALDH1A1 1690/4885MAPK1 1190/4885HSD17B10 326/4885

“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.