SCHEMBL508847

SCHEMBL508847

[c]1c2ccccc2[c]c2cc3ccccc3cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.39
ALOX12 P18054 1/20 0.39
NQO2 P16083 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
PDPK1 O15530 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HIF1A Q16665 2/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL509988 0.95 ALDH1A1 (0.42) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL508867 0.94 CYP2A6 (0.44) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL15366386 0.82 ALDH1A1 (0.40) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL195377 0.81 ALDH1A1 (0.36) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL70153 0.80 CYP2A6 (0.36) CYP2A6ALOX12CA2ALDH1A1HSD17B10
SCHEMBL15366850 0.79 ALDH1A1 (0.39) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL24252 0.79 CYP2A6 (0.41) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL28076506 0.77 ALDH1A1 (0.39) CYP2A6ALOX12NQO2CA1CA2
SCHEMBL417802 0.76
SCHEMBL509570 0.74 ALDH1A1 (0.37) CYP2A6ALOX12NQO2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230333469-A1 FILM FORMING COMPOSITION FOR LITHOGRAPHY, RESIST PATTERN FORMATION METHOD, AND CIRCUIT PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-10-19 US disclosed
EP-3950334-B1 RESIN COMPOSITION, RESIN SHEET, MULTILAYER PRINTED WIRING BOARD, AND SEMICONDUCTOR DEVICE MITSUBISHI GAS CHEMICAL CO (JP) 2023-08-16 EP disclosed
US-11654615-B2 Method for manufacturing a three-dimensional object SOLVAY SPECIALTY POLYMERS USA, LLC (US) 2023-05-23 US disclosed
US-20220204810-A1 RESIN COMPOSITION, RESIN SHEET, MULTILAYER PRINTED WIRING BOARD, AND SEMICONDUCTOR DEVICE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-06-30 US disclosed
EP-3950334-A1 RESIN COMPOSITION, RESIN SHEET, MULTILAYER PRINTED WIRING BOARD, AND SEMICONDUCTOR DEVICE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-02-09 EP disclosed
US-20210069963-A1 METHOD FOR MANUFACTURING A THREE-DIMENSIONAL OBJECT SOLVAY SPECIALITY POLYMERS USA, LLC 2021-03-11 US disclosed
EP-2832761-B1 POLYMER COMPOUND AND LIGHT EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL CO (JP) 2020-11-18 EP disclosed
EP-2205289-B1 MEDICAL TUBINGS MADE OF A POLYMER MATERIAL SOLVAY SPECIALTY POLYMERS USA (US) 2019-01-02 EP disclosed
EP-2530759-B1 LIGHT-EMITTING MATERIAL, INK COMPOSITION, THIN FILM, LIGHT-EMITTING ELEMENT, AND METHOD FOR MANUFACTURING A LIGHT-EMITTING ELEMENT SUMITOMO CHEMICAL CO (JP) 2018-10-17 EP disclosed
EP-2547383-B1 IMPROVED NEEDLES MADE OF A PARTICULAR PLASTIC MATERIAL SOLVAY SPECIALTY POLYMERS USA L L C (US) 2018-07-18 EP disclosed
US-20100109555-A1 AROMATIC AMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING ORGANIC ELECTROLUMINESCENT ELEMENT SONY CORPORATION (JP) 2010-05-06 US disclosed
US-20100109517-A1 PYRENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2159244-A1 ANTHRACENE POLYMER COMPOUND AND LIGHT-EMITTING DEVICE USING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-03-03 EP disclosed
EP-2147944-A1 PYRENE POLYMER AND LUMINESCENT ELEMENT MADE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2010-01-27 EP disclosed
US-20100016518-A1 Aromatic Polycarbonate Composition SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2010-01-21 US disclosed
US-20090234077-A1 New use of a kinked rigid-rod polyarylene, and articles made from said kinked rigid-rod polyarylene SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2009-09-17 US disclosed
CN-101395220-A New polyarylene composition SOLVAY ADVANCED POLYMERS LLC (US) 2009-03-25 CN disclosed
US-20080312387-A1 New Polyarylene Composition SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2008-12-18 US disclosed
EP-1994093-A2 NEW POLYARYLENE COMPOSITION Solvay Advanced Polymers, L.L.C. (US) 2008-11-26 EP disclosed
WO-2007101857-A2 NEW POLYARYLENE COMPOSITION SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2007-09-13 WO 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-20100109555-A1 AROMATIC AMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING ORGANIC ELECTROLUMINESCENT ELEMENT AOC2, NR2E1, AOC3 CYP2A6 1778/4885ALOX12 264/4885NQO2 1912/4885
US-20100109517-A1 PYRENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME TERB1, AHR, CYP1A1 CYP2A6 215/4885ALOX12 929/4885NQO2 1956/4885

“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.