SCHEMBL5403272

SCHEMBL5403272

OCc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.61
TSHR P16473 1/20 0.59
APP P05067 1/20 0.57
FFAR4 Q5NUL3 1/20 0.57
LTA4H P09960 1/20 0.50
MAPT P10636 1/20 0.50
ASIC3 Q9UHC3 1/20 0.48
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL22146846 0.91 TSHR (0.54) FFAR1TSHRAPPFFAR4LTA4H
SCHEMBL16624600 0.90 TSHR (0.48) FFAR1TSHRAPPFFAR4LTA4H
SCHEMBL20717677 0.89 TSHR (0.52) FFAR1TSHRAPPFFAR4LTA4H
SCHEMBL22146848 0.89 TSHR (0.52) FFAR1TSHRAPPFFAR4LTA4H
SCHEMBL22146857 0.89 TSHR (0.52) FFAR1TSHRAPPFFAR4LTA4H
SCHEMBL11771982 0.81 FFAR1 (0.68) FFAR1TSHRFFAR4
SCHEMBL1692261 0.81 APP (0.54) FFAR1TSHRAPPCYP2C19
SCHEMBL9454240 0.80 FFAR1 (0.66) FFAR1TSHRAPPFFAR4ASIC3
SCHEMBL17954218 0.79 CYP2A6 (0.52) FFAR1TSHRFFAR4
SCHEMBL2517886 0.79 LOXL2 (0.52) FFAR1TSHRAPPASIC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425607-A Method for preparing cis-form or trans-form alkene by chromium-catalyzed intermediate alkyne selective hydrogenation 四川大学 2023-07-14 CN disclosed
CN-111378142-A Force-induced response supramolecular polymer 翁秋梅 2020-07-07 CN disclosed
US-20200199657-A1 OPTICAL SUPER-MULTIPLEXING BY POLYYNES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2020-06-25 US disclosed
US-7312230-B2 Carboxylic acid derivatives as IP antagonists ROCHE PALO ALTO LLC (US) 2007-12-25 US disclosed
US-7056903-B2 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2006-06-06 US disclosed
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases COURNOYER RICHARD L 2006-02-16 US disclosed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US disclosed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 US disclosed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 WO disclosed
US-4042584-A ENZYME INHIBITORS MERCK & CO., INC. (US) 1977-08-16 US disclosed
US-3957871-A ANTIARRHYTHMIA AGENTS, UNSATURATED AROMATIC AMINES MERCK & CO., INC. (US) 1976-05-18 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 (3 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-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases AGTR1, AGTR2, PTGIR FFAR1 38/4885TSHR 620/4885APP 4232/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 FFAR1 3/4885TSHR 213/4885APP 4416/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 FFAR1 3/4885TSHR 192/4885APP 4499/4885

“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.