SCHEMBL7341280

SCHEMBL7341280

O=C(O)CCc1ccccc1-c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.57
PTGER3 P43115 6/20 0.57
PTGER1 P34995 5/20 0.57
PTGER2 P43116 5/20 0.57
FFAR1 O14842 7/20 0.49
FFAR4 Q5NUL3 4/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
KEAP1 Q14145 1/20 0.47
TSPO P30536 1/20 0.45
DRD3 P35462 1/20 0.45
FBP1 P09467 1/20 0.43
MME P08473 1/20 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
SCHEMBL71453 0.89 PTGER4 (0.68) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL246473 0.85 MEN1 (0.59) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL29444401 0.85 MEN1 (0.59) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL27918771 0.84 MPO (0.50) PTGER4PTGER3PTGER1PTGER2MEN1
SCHEMBL538984 0.81 CXCL8 (0.57) MEN1ALDH1A1KMT2A
Acetic Acid SCHEMBL29114584 0.80 MEN1 (0.54) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL1261128 0.79 PTGER4 (0.77) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL31212507 0.79 PTGER4 (0.77) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL4610927 0.79 PTGER4 (0.66) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL2208826 0.78 PTGER4 (0.65) PTGER4PTGER3PTGER1PTGER2FFAR1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862549-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEM PLASTIC (US) 2000-05-31 EP claimed
US-5998660-A BY-PRODUCT INHIBITION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-12-07 US claimed
EP-0862549-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-09-09 EP claimed
US-5739385-A OXIDIZING AN OPTICALLY ACTIVE ALDEHYDE WITH A PERACID IN THE PRESENCE OF AN AMINE AND/OR AMINE N-OXIDE CATALYST UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-04-14 US claimed
US-5739352-A Process for preparing carboxylic acids UNITED CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-04-14 US claimed
WO-1997014669-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-04-24 WO claimed
US-20160326085-A1 2-ARYL-ZINC-PROPIONATE CATALYST AND PREPARATION METHOD AND USE THEREOF FUDAN UNIVERSITY (CN) 2016-11-10 US disclosed
US-5998660-A BY-PRODUCT INHIBITION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-12-07 US disclosed
EP-0601191-B1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KK (JP) 1998-07-22 EP disclosed
US-5739352-A Process for preparing carboxylic acids UNITED CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-04-14 US disclosed
US-5371225-A Immunosuppressants KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-06 US disclosed
EP-0601191-A1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1994-06-15 EP disclosed
EP-0240863-B1 CONTINUOUS PROCESS FOR THE ALKYLATION OF CH-ACID COMPOUNDS WITH ALKYL CARBONATES IN GAS-LIQUID PHASE TRANSFER CATALYSIS CONDITIONS CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1991-10-09 EP disclosed
US-4894471-A Continuous process for the alkylation of CH-acid compounds with alkyl carbonates in gas-liquid phase transfer catalysis-conditions CONSIGLIO NAZIONALE DELLE RICHERCHE (IT) 1990-01-16 US disclosed
EP-0240863-A1 Continuous process for the alkylation of CH-acid compounds with alkyl carbonates in gas-liquid phase transfer catalysis conditions CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1987-10-14 EP disclosed
US-4542233-A Process for preparing biaryl compounds via coupling of an arylamine with an arene BIASCHIM S.P.A. (IT) 1985-09-17 US disclosed
US-4021478-A Preparation of carboxylic acids from glycidonitriles with ionic lewis acids THE UPJOHN COMPANY (US) 1977-05-03 US disclosed
US-3994964-A Processes for the production of carboxylic acids from glycidonitriles THE UPJOHN COMPANY (US) 1976-11-30 US disclosed
US-3975431-A Preparing carboxylic acids from glycidonitriles through enol acylates THE UPJOHN COMPANY (US) 1976-08-17 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-20160326085-A1 2-ARYL-ZINC-PROPIONATE CATALYST AND PREPARATION METHOD AND USE THEREOF CYP2F1, CYP4F2, CYP2A6 PTGER4 155/4885PTGER3 121/4885PTGER1 106/4885

“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.