SCHEMBL2931888

SCHEMBL2931888

Cc1cccc(COCc2cccc(C)c2C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
TRPA1 O75762 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4B Q07343 2/20 0.37
HTR1B P28222 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL11760305 0.86 ESR1 (0.47) ESR1ESR2TRPA1ATMMAPT
SCHEMBL18092262 0.84 HTT (0.40) ESR1ESR2TRPA1ATMMAPT
SCHEMBL2089504 0.84 ESR1 (0.46) ESR1ESR2TRPA1ATMMAPT
SCHEMBL106500 0.82 ESR1 (0.44) ESR1ESR2TRPA1ATMMAPT
SCHEMBL2089501 0.82 ESR1 (0.44) ESR1ESR2TRPA1ATMMAPT
SCHEMBL3423206 0.82 ESR1 (0.49) ESR1ESR2TRPA1ATMMAPT
SCHEMBL18092257 0.81 ESR1 (0.41) ESR1ESR2TRPA1ATMMAPT
SCHEMBL4315585 0.80 TAAR1 (0.50) TAAR1KMT2ATSHRACHEALDH1A1
SCHEMBL8750528 0.79 ESR1 (0.42) ESR1ESR2TRPA1ATMMAPT
SCHEMBL28594116 0.77 ESR1 (0.41) ESR1ESR2TRPA1ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4925462-A FROM GAS FLOW THROUGH FROTH SCRUBBER; LIQUEFYING, SEPARATION ARASIN GMBH (DE) 1990-05-15 US claimed
CN-122011829-A Nanoparticle, ink composition, light-emitting device, electronic device, and electronic device 三星显示有限公司 2026-05-12 CN disclosed
CN-111315721-B Organic mixtures and their use in organic electronic devices 广州华睿光电材料有限公司 2023-06-06 CN disclosed
CN-115513253-A Display device 三星显示有限公司 2022-12-23 CN disclosed
CN-114686048-A Nanoparticle ink composition, light emitting device, and method of manufacturing light emitting device 三星显示有限公司 2022-07-01 CN disclosed
CN-114686047-A Ink composition, light-emitting device, and method for manufacturing light-emitting device 三星显示有限公司 2022-07-01 CN disclosed
CN-114678474-A Nanocomposite, nanoparticle ink composition including the same, and light emitting device 三星显示有限公司 2022-06-28 CN disclosed
CN-113764593-A Light emitting device, electronic apparatus including the same, and method of manufacturing the light emitting device 三星显示有限公司 2021-12-07 CN disclosed
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
EP-2229373-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY Merck Frosst Canada Ltd. (CA) 2010-09-22 EP disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
US-5248450-A Pyrethroid insecticides, fungicides DESOWAG MATERIALSCHUTZ GMBH (DE) 1993-09-28 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
US-5039319-A Purification, scrubbing ARASIN GMBH (DE) 1991-08-13 US disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
US-4925462-A FROM GAS FLOW THROUGH FROTH SCRUBBER; LIQUEFYING, SEPARATION ARASIN GMBH (DE) 1990-05-15 US disclosed
US-4750934-A Composition or concentrate for conserving wood and wood materials DESOWAG-BAYER HOLZSCHUTZ GMBH (DE) 1988-06-14 US disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 EP disclosed
US-4518806-A Production of aryl alkyl ethers from methylbenzyl alcohol using bis-(dithiobenzyl)nickel(II) catalyst ATLANTIC RICHFIELD COMPANY (US) 1985-05-21 US disclosed
US-4514576-A Production of aryl alkyl ethers from methylbenzyl alcohol using rhenium heptoxide catalyst ATLANTIC RICHFIELD COMPANY (US) 1985-04-30 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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 ESR1 651/4885ESR2 139/4885TRPA1 325/4885

“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.