SCHEMBL1692149

SCHEMBL1692149

OCc1ccc(C2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.46
ESR2 Q92731 7/20 0.46
ESR1 P03372 6/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2D6 P10635 1/20 0.46
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
NAAA Q02083 1/20 0.42
ASAH1 Q13510 1/20 0.42
RORC P51449 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL8993390 0.98 ESR2 (0.47) HAO1ESR2ESR1CYP3A4CYP2C9
SCHEMBL14538178 0.94 NOTUM (0.44) HAO1ESR2ESR1CYP3A4CYP2C9
SCHEMBL13368345 0.93 ESR2 (0.52) HAO1ESR2ESR1CYP3A4CYP2C9
SCHEMBL21753177 0.89 LTA4H (0.52) HAO1ESR2ESR1CYP3A4CYP2C9
SCHEMBL742590 0.89 ESR2 (0.52) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL22291713 0.85 HRH3 (0.61) CYP3A4CYP2C9NAAAASAH1HRH3
SCHEMBL11676578 0.83 CA2 (0.45) HAO1ESR2ESR1CYP3A4CYP2C9
SCHEMBL4452070 0.82 LTA4H (0.44) HAO1ESR2ESR1CYP3A4CYP2C9
SCHEMBL10102342 0.81 ALDH1A1 (0.36) HAO1ESR2ESR1CYP3A4CYP2C9
Hydrogen Peroxide SCHEMBL11391495 0.81 HAO1 (0.55) HAO1ESR2HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638586-A Trifluoromethyl cyclohexyl benzyl ether substituted nitrogenous organic acid derivative, preparation method and application thereof 中国医学科学院药物研究所 2025-03-18 CN claimed
CN-111315828-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-09-29 CN disclosed
CN-112154167-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-08-22 CN disclosed
CN-115160098-B Oxygen-containing compound deoxidization methylation method 中国科学院兰州化学物理研究所 2023-06-06 CN disclosed
US-20230039846-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2023-02-09 US disclosed
CN-115160098-A Oxygen-containing compound deoxidation and methylation method 中国科学院兰州化学物理研究所 2022-10-11 CN disclosed
CN-114539129-A Allylamine bifunctional compound and application thereof 上海中医药大学附属龙华医院 2022-05-27 CN disclosed
US-10954258-B2 STAT3 dimerization inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-03-23 US disclosed
US-10954258-B2 STAT3 dimerization inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-03-23 US disclosed
CN-112154167-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-12-29 CN disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0268878-B1 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 (JP) 1996-01-31 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US 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
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP 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
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-4721779-A ELECTROOPTICAL APPARATUS BASF AKTIENGESELLSCHAFT (DE) 1988-01-26 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 (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-20230039846-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 HAO1 2108/4885ESR2 727/4885ESR1 2427/4885
US-10954258-B2 STAT3 dimerization inhibitors STAT3, JAK2, STAT1 HAO1 4476/4885ESR2 709/4885ESR1 2042/4885

“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.