SCHEMBL658561

SCHEMBL658561

O=C(/C=C/c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 9/20 1.00
CYP1A1 P04798 2/20 0.77
CYP1A2 P05177 2/20 0.77
CYP3A4 P08684 3/20 0.71
CYP2D6 P10635 1/20 0.71
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
MAPT P10636 2/20 0.65
MAOB P27338 2/20 0.65
PLIN1 O60240 1/20 0.65
LMNA P02545 1/20 0.65
BCHE P06276 1/20 0.65
TNFRSF1A P19438 1/20 0.65
ACHE P22303 1/20 0.65
RECQL P46063 1/20 0.65
PLIN5 Q00G26 1/20 0.65
ABHD5 Q8WTS1 1/20 0.65
ABCB1 P08183 1/20 0.63
ABCG2 Q9UNQ0 1/20 0.63
PTPN1 P18031 1/20 0.63

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
SCHEMBL658562 1.00 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29805401 1.00 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29639743 1.00 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL657528 0.91 CYP1B1 (0.82) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL657527 0.91 CYP1B1 (0.82) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL656427 0.90 CYP1B1 (0.81) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL656428 0.90 CYP1B1 (0.81) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL12158660 0.89 CYP1B1 (0.79) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10287097 0.88 CYP1B1 (0.78) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10253478 0.87 CYP1B1 (0.77) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117223-A Hot melt inks containing polyketones XEROX CORPORATION (US) 2000-09-12 US claimed
CN-114805044-A Novel method for synthesizing dibromo compound 兰州大学 2022-07-29 CN disclosed
CN-114502659-A Resin composition, resin sheet, cured film, method for producing cured film, semiconductor device, organic EL display device, and display device 东丽株式会社 2022-05-13 CN disclosed
CN-113461501-A Green method for high-selectivity synthesis of chalcone compounds 温州大学 2021-10-01 CN disclosed
WO-2021085321-A1 RESIN COMPOSITION, RESIN SHEET, CURED FILM, METHOD FOR MANUFACTURING CURED FILM, SEMICONDUCTOR DEVICE, ORGANIC EL DISPLAY DEVICE, AND DISPLAY DEVICE 東レ株式会社 2021-05-06 WO disclosed
CN-112088151-A Process for producing fluoromethyl derivative 大金工业株式会社 2020-12-15 CN disclosed
US-9751821-B1 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-09-05 US disclosed
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-17 US disclosed
US-9676692-B2 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-13 US disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP disclosed
EP-2172462-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND, AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-04-07 EP disclosed
US-20090018167-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states Robinson, Thomas Philip (US) 2009-01-15 US disclosed
US-7432303-B2 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states Bowen, J. Phillip (US) 2008-10-07 US disclosed
US-20080093984-A1 Organic Electroluminescent Device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2008-04-24 US disclosed
US-20080093984-A1 Organic Electroluminescent Device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2008-04-24 US disclosed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6117223-A Hot melt inks containing polyketones XEROX CORPORATION (US) 2000-09-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 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 (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-20090018167-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states FLT1, FLT4, VEGFA CYP1B1 747/4885CYP1A1 649/4885CYP1A2 792/4885
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND ADH1C, ADH1A, CYP2E1 CYP1B1 16/4885CYP1A1 13/4885CYP1A2 12/4885

“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.