SCHEMBL1405682

SCHEMBL1405682

Cc1ccc(C(C=Cc2ccccc2)C=Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
PPARG P37231 1/20 0.42
EGFR P00533 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
MAOB P27338 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NFE2L2 Q16236 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7116007 0.84 CYP1B1 (0.43) CYP1B1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL1791790 0.83 CYP1B1 (0.44) CYP1B1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL4631564 0.82 CYP3A4 (0.47) CYP1B1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL4631562 0.82 CYP3A4 (0.47) CYP1B1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL6547644 0.80 MEN1 (0.43) CYP1B1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL8416886 0.79 CYP1A2 (0.48) CYP1B1CYP1A2CYP3A4MMP1MMP2
SCHEMBL4585859 0.77 NFE2L2 (0.61) CYP1B1CYP3A4ALDH1A1HPGDMAPT
SCHEMBL700269 0.77 NFE2L2 (0.61) CYP1B1CYP3A4ALDH1A1HPGDMAPT
SCHEMBL4585865 0.77 NFE2L2 (0.61) CYP1B1CYP3A4ALDH1A1HPGDMAPT
SCHEMBL1239547 0.77 NFE2L2 (0.61) CYP1B1CYP3A4ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57121071-A None JP disclosed
US-9163110-B2 Granule coated with urethane resin SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-20 US disclosed
US-8211474-B2 Granule coated with urethane resin SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-03 US disclosed
EP-2160427-B1 GRANULE COATED WITH URETHANE RESIN SUMITOMO CHEMICAL CO (JP) 2011-03-23 EP disclosed
EP-2178811-B1 GRANULE COATED WITH URETHANE RESIN SUMITOMO CHEMICAL CO (JP) 2011-03-09 EP disclosed
US-20100196431-A1 GRANULE COATED WITH URETHANE RESIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-05 US disclosed
US-20100189799-A1 GRANULE COATED WITH URETHANE RESIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-29 US disclosed
US-20100151250-A1 GRANULE COATED WITH URETHANE RESIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-17 US disclosed
EP-2178810-A1 GRANULE COATED WITH URETHANE RESIN Sumitomo Chemical Company, Limited (JP) 2010-04-28 EP disclosed
EP-2178811-A1 GRANULE COATED WITH URETHANE RESIN Sumitomo Chemical Company, Limited (JP) 2010-04-28 EP disclosed
EP-2160427-A1 GRANULE COATED WITH URETHANE RESIN Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
WO-2009022431-A1 GRANULE COATED WITH URETHANE RESIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-19 WO disclosed
WO-2009022432-A1 GRANULE COATED WITH URETHANE RESIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-19 WO disclosed
WO-2009001477-A1 GRANULE COATED WITH URETHANE RESIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-31 WO disclosed
JP-S57121071-A ELECTRICAL INSULATING COATING COMPOUND SHOWA ELECTRIC WIRE & CABLE CO LTD 1982-07-28 JP 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 (2 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-20100196431-A1 GRANULE COATED WITH URETHANE RESIN PUF60, SLC18A1, UBAP2L CYP1B1 1383/4885CYP1A2 700/4885CYP3A4 2274/4885
US-20100189799-A1 GRANULE COATED WITH URETHANE RESIN PUF60, COPE, UNC119 CYP1B1 786/4885CYP1A2 308/4885CYP3A4 782/4885

“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.