SCHEMBL133687

SCHEMBL133687

c1ccc(P(c2cccc3ccccc23)c2cccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 8/20 0.42
HSD17B10 Q99714 5/20 0.42
CYP2A6 P11509 3/20 0.42
TSHR P16473 3/20 0.42
CYP1A2 P05177 4/20 0.39
HPGD P15428 3/20 0.39
KEAP1 Q14145 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
HPRT1 P00492 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
DRD1 P21728 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
CDC25B P30305 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL29440576 1.00 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1HSD17B10CYP2A6
SCHEMBL7569519 0.95 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1HSD17B10CYP2A6
SCHEMBL132132 0.95 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1HSD17B10CYP2A6
SCHEMBL30170447 0.95 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1HSD17B10CYP2A6
SCHEMBL15658738 0.93 ALDH1A1 (0.43) CYP3A4TDP1ALDH1A1HSD17B10CYP2A6
SCHEMBL15661191 0.89 CYP2A6 (0.50) CYP3A4TDP1ALDH1A1HSD17B10CYP2A6
SCHEMBL135987 0.85 ALDH1A1 (0.50) CYP3A4TDP1ALDH1A1HSD17B10CYP2A6
SCHEMBL29390280 0.85 ALDH1A1 (0.50) CYP3A4TDP1ALDH1A1HSD17B10CYP2A6
SCHEMBL15661190 0.85 CYP2A6 (0.41) CYP3A4TDP1ALDH1A1CYP2A6TSHR
SCHEMBL3829232 0.84 ESR1 (0.52) CYP3A4TDP1ALDH1A1HSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111689847-B Preparation method of aryl propionic acid compound 浙江新和成股份有限公司 2022-05-17 CN claimed
CN-111689847-A Preparation method of aryl propionic acid compound 浙江新和成股份有限公司 2020-09-22 CN claimed
CN-110267936-A Carbonylation method and ligand combination object comprising bidentate phosphite ester ligand and tertiary phosphine antioxidant 佩什托普公司 2019-09-20 CN claimed
WO-2018147793-A1 CARBONYLATION PROCESS AND LIGAND COMPOSITION COMPRISING A BIDENTATE PHOSPHITE LIGAND AND A TERTIARY PHOSPHINE ANTI-OXIDANT PERSTORP AB (SE) 2018-08-16 WO claimed
US-20070087446-A1 Aromatic phosphonium salts and their use as labeling reagents in mass spectrometry analysis WATERS INVESTMENTS LIMITED (US) 2007-04-19 US claimed
US-12534590-B2 Recycle content cyclobutane diol polyester EASTMAN CHEMICAL COMPANY (US) 2026-01-27 US disclosed
EP-4004081-B1 RECYCLE CONTENT CYCLOBUTANE DIOL POLYESTER EASTMAN CHEM CO (US) 2025-09-17 EP disclosed
US-20250276949-A1 RECYCLE CONTENT (C4)ALKANAL EASTMAN CHEMICAL COMPANY (US) 2025-09-04 US disclosed
US-12338211-B2 Recycle content (C4)alkanal EASTMAN CHEMICAL COMPANY (US) 2025-06-24 US disclosed
CN-114423803-B Process for preparing polyesters with recycled monomers from pyrolysis and methanolysis 伊士曼化工公司 2024-10-29 CN disclosed
US-12122743-B2 Use of an epoxide in order to reduce the formation of heavy ends in a hydroformylation process PERSTORP AB (SE) 2024-10-22 US disclosed
CN-114206819-B Process for reducing heavy ends formation and catalyst loss in hydroformylation processes 佩什托普公司 2024-06-25 CN disclosed
US-5520722-A REMOVAL OF ALKYNES AND MULTIUNSATURATED COMPOUNDS FROM GAS STREAMS WITH METAL COMPLEXES OF RHODIUM PHOSPHINE COMPOUNDS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1996-05-28 US disclosed
US-5516965-A ABSORBING ACETYLENE AND OXYGENATED HYDROCARBONS IN SOLVENT; STRIPPING, CONCENTRATING EXXON RESEARCH AND ENGINEERING COMPANY (US) 1996-05-14 US disclosed
US-4292437-A USING A PALLADIUM-ORTHO-SUBSTITUTED TRIARYL PHOSPHINE COMPLEX AS CATALYST FOR THE CARBONYLATION OF PROPYLENE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-09-29 US disclosed
US-4287370-A BY HYDROFORMYLATION OF 1-BUTENE IN THE PRESENCE OF A COMPLEX CATALYST OF RHODIUM, CARBON MONOXIDE AND A TRIORGANOPHOSPHINE DAVY MCKEE (OIL & CHEMICALS) LIMITED (GB) 1981-09-01 US disclosed
US-4257973-A USING ORGANOPHOSPHORUS-PALLADIUM HALIDE COORDINATION CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 US disclosed
EP-0016286-A2 Hydroformylation process DAVY McKEE (LONDON) LIMITED (GB) 1980-10-01 EP disclosed
US-4188274-A DECARBOXYLATION STANDARD OIL COMPANY (INDIANA) (US) 1980-02-12 US disclosed
US-4174447-A SILVER SALTS OF CARBOXY ACIDS STANDARD OIL COMPANY (INDIANA) (US) 1979-11-13 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 (4 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-12534590-B2 Recycle content cyclobutane diol polyester PGD, MCCC2, PCCA CYP3A4 886/4885TDP1 1572/4885ALDH1A1 2248/4885
US-12122743-B2 Use of an epoxide in order to reduce the formation of heavy ends in a hydroformylation process HMOX2, DOHH, HAO2 CYP3A4 114/4885TDP1 2807/4885ALDH1A1 126/4885
US-12338211-B2 Recycle content (C4)alkanal ALKBH3, AKR1C4, CBR1 CYP3A4 103/4885TDP1 3104/4885ALDH1A1 154/4885
US-20250276949-A1 RECYCLE CONTENT (C4)ALKANAL ALKBH3, AKR1C4, CBR1 CYP3A4 103/4885TDP1 3104/4885ALDH1A1 154/4885

“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.