SCHEMBL727785

SCHEMBL727785

Nc1ccc(-c2ccccc2)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.52
TAAR1 Q96RJ0 2/20 0.52
CYP3A4 P08684 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
IKBKB O14920 1/20 0.48
MAPT P10636 3/20 0.45
AURKA O14965 1/20 0.45
THRB P10828 1/20 0.45
CASP1 P29466 1/20 0.45
TTK P33981 1/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
HSP90AA1 P07900 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL728071 0.78
SCHEMBL29291854 0.76 ALOX15 (0.50) HSD17B10CYP3A4TDP1MAPTAURKA
SCHEMBL11441247 0.73 MEN1 (0.50) HSD17B10CYP3A4TDP1MAPTTHRB
SCHEMBL30392415 0.72 TDP1 (0.74) HSD17B10TAAR1CYP3A4TDP1IKBKB
SCHEMBL653071 0.72 TDP1 (0.74) HSD17B10TAAR1CYP3A4TDP1IKBKB
SCHEMBL27829121 0.72 TDP1 (0.74) HSD17B10TAAR1CYP3A4TDP1IKBKB
Biphenyl SCHEMBL27516413 0.72 ALOX15 (0.71) HSD17B10TAAR1CYP3A4TDP1MAPT
SCHEMBL2637802 0.71 ALDH1A1 (0.90) HSD17B10TAAR1CYP3A4TDP1MAPT
SCHEMBL143471 0.71 ALDH1A1 (0.90) HSD17B10TAAR1CYP3A4TDP1MAPT
SCHEMBL1991754 0.71 ALDH1A1 (0.90) HSD17B10TAAR1CYP3A4TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101553549-B Photobase generator and photocurable resin composition ASAHI KASEI E MATERIALS CORP (JP) 2013-02-20 CN disclosed
US-8137892-B2 Photobase generator and photocurable resin composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-03-20 US disclosed
US-20100151386-A1 PHOTOBASE GENERATOR AND PHOTOCURABLE RESIN COMPOSITION ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-06-17 US disclosed
CN-101553549-A Photobase generator and photocurable resin composition ASAHI CHEMICAL CORP (JP) 2009-10-07 CN disclosed
EP-2093269-A1 PHOTOBASE GENERATOR AND PHOTOCURABLE RESIN COMPOSITION Asahi Kasei Chemicals Corporation (JP) 2009-08-26 EP 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-20100151386-A1 PHOTOBASE GENERATOR AND PHOTOCURABLE RESIN COMPOSITION PSMC6, PCNA, POLR2B HSD17B10 3316/4885TAAR1 4495/4885CYP3A4 4115/4885

“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.