SCHEMBL506538

SCHEMBL506538

C=CCCCCC(CCC)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.59
AKR1A1 P14550 1/20 0.59
CHRM3 P20309 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
ADRA1A P35348 1/20 0.59
HRH1 P35367 1/20 0.59
DRD3 P35462 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CA2 P00918 1/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 3/20 0.43
GRIK1 P39086 3/20 0.43
GRIK2 Q13002 3/20 0.43
SLC1A2 P43004 3/20 0.43
SLC1A1 P43005 3/20 0.43
SLC1A3 P43003 2/20 0.43

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
SCHEMBL3119530 0.98 CHRM1 (0.57) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3117296 0.98 CHRM1 (0.57) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3120555 0.98 CHRM1 (0.57) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29022326 0.95 CA2 (0.56) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3124834 0.94 CHRM1 (0.61) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3117857 0.93 CA2 (0.57) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL30701366 0.93 TSHR (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL23833911 0.91 TSHR (0.57) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL17046526 0.91 TSHR (0.57) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5358173 0.91 CA2 (0.55) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4694787-B2 2011-06-08 JP claimed
US-7294729-B2 Bis-chelating ligand and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2007-11-13 US claimed
US-7196230-B2 Ligand in Group VIII transition metal phosoxophite complex catalysts used in carbonylation processes, including hydroformylation; catalyst selectivity; high selectivity to linear hydroformylation product from styrene UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2007-03-27 US claimed
US-20060100453-A1 Novel phosoxophite legands and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2006-05-11 US claimed
US-20060058557-A1 Bis-chelating ligand and use thereof in carbonylation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2006-03-16 US claimed
EP-1485392-B1 BISPHOSPHITE LIGANDS FOR CARBONYLATION PROCESSES UNION CARBIDE CHEM PLASTIC (US) 2006-03-15 EP claimed
US-20050267168-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2005-12-01 US claimed
EP-1554293-A1 BIS-CHELATING LIGAND AND USE THEREOF IN CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-07-20 EP claimed
EP-1485392-A2 BISPHOSPHITE LIGANDS FOR CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-12-15 EP claimed
WO-2004035595-A1 BIS-CHELATING LIGAND AND USE THEREOF IN CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-04-29 WO claimed
WO-2003078444-A2 BISPHOSPHITE LIGANDS FOR CARBONYLATION PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2003-09-25 WO claimed
US-20030096802-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-05-22 US claimed
US-6201021-B1 TREATMENT OF DISEASES INDUCED BY REACTIVE ASTROCYTES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-03-13 US claimed
EP-0632008-B1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1998-02-04 EP claimed
EP-0632008-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-04 EP claimed
EP-4508056-B1 INDOLE-FUNCTIONALIZED BISPHOSPHORAMIDITES, METHODS FOR THE PREPARATION THEREOF, AND RHODIUM-LIGAND COMPLEX DOW GLOBAL TECHNOLOGIES LLC (US) 2026-05-06 EP disclosed
EP-3702381-B1 COPOLYMER OF OLEFIN AND UNSATURATED CARBOXYLIC ACID OR UNSATURATED CARBOXYLIC ACID DERIVATIVE CHINA PETROLEUM & CHEM CORP (CN) 2025-12-03 EP disclosed
EP-0073961-A1 Hydroformylation process using a rhodium complex catalyst with biphosphine monoxide ligands UNION CARBIDE CORPORATION (US) 1983-03-16 EP disclosed
EP-0031590-A1 Rhodium catalyzed hydroformylation process UNION CARBIDE CORPORATION (US) 1981-07-08 EP disclosed
US-4262142-A CONCURRENT, RHODIUM CATALYST UNION CARBIDE CORPORATION (US) 1981-04-14 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-20050267168-A1 Pentanoic acid derivatives FFAR3, FFAR1, HCAR3 CHRM1 93/4885AKR1A1 771/4885CHRM3 89/4885
US-20060100453-A1 Novel phosoxophite legands and use thereof in carbonylation processes PGLS, PRDX4, PFAS CHRM1 2697/4885AKR1A1 4058/4885CHRM3 2037/4885
US-20030096802-A1 Pentanoic acid derivatives FFAR3, FPR1, FPR3 CHRM1 84/4885AKR1A1 976/4885CHRM3 129/4885
US-20060058557-A1 Bis-chelating ligand and use thereof in carbonylation processes CBR1, CBR3, AR CHRM1 81/4885AKR1A1 412/4885CHRM3 282/4885

“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.