SCHEMBL586345

SCHEMBL586345

O=C(O)CCc1ccc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.59
FFAR1 O14842 1/20 0.53
ACLY P53396 2/20 0.52
GPR17 Q13304 1/20 0.51
HPGD P15428 1/20 0.51
CNR1 P21554 1/20 0.50
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
PPARG P37231 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL30567601 1.00 PDPK1 (0.59) PDPK1FFAR1ACLYGPR17HPGD
SCHEMBL4778926 0.91 ACLY (0.58) PDPK1FFAR1ACLYPLAAT3PLAAT5
Hydrochloric Acid SCHEMBL9083841 0.89 ACLY (0.57) PDPK1FFAR1ACLYPLAAT3PLAAT5
SCHEMBL6207183 0.87 ACLY (0.63) ACLY
SCHEMBL7330078 0.86 PDPK1 (0.56) PDPK1ACLYHPGDCNR1PLAAT3
SCHEMBL10276916 0.86 ACLY (0.65) ACLY
SCHEMBL32689799 0.85 FFAR1 (0.49) PDPK1FFAR1GPR17ALDH1A1
SCHEMBL4699761 0.85 FFAR1 (0.49) PDPK1FFAR1GPR17ALDH1A1
SCHEMBL2489075 0.85 PDPK1 (0.55) PDPK1ACLYHPGDCNR1PLAAT3
SCHEMBL14793675 0.83 POLB (0.50) PDPK1FFAR1GPR17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3650464-B1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND SHANGPHARMA INNOVATION INC (US) 2025-11-05 EP disclosed
WO-2023160582-A1 THIAZOLAMINE MBL INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川大学 2023-08-31 WO disclosed
CN-115160285-A Thioamides ALDH 2 Agonist, preparation method and application 云南大学 2022-10-11 CN disclosed
WO-2022178544-A1 NOVEL HETEROCYCLIC COMPOUNDS AND RELATED METHODS OF MANUFACTURE AND USE IN HDAC INHIBITION KLOTHO THERAPEUTICS, INC. (US) 2022-08-25 WO disclosed
US-11253596-B2 Phenylalkylcarboxylic acid delivery agents NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2022-02-22 US disclosed
US-20200405863-A1 PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS NOVO NORDISK A/S (DK) 2020-12-31 US disclosed
US-10456472-B2 Phenylalkylcarboxylic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2019-10-29 US disclosed
EP-2935249-B1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-12-12 EP disclosed
EP-2114145-B1 PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS EMISPHERE TECH INC (US) 2017-11-01 EP disclosed
US-9630945-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-04-25 US disclosed
US-5453424-A Furanodiazepines MERCK & CO., INC. (US) 1995-09-26 US disclosed
US-5428031-A Benzodiazepine analogs; cardiovascular disorders MERCK & CO., INC. (US) 1995-06-27 US disclosed
US-5426185-A Antiarrhythmia agents having reduced side effects MERCK & CO., INC. (US) 1995-06-20 US disclosed
WO-1995014694-A1 BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed
WO-1995014471-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed
WO-1995014695-A1 NOVEL FURANODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed
WO-1995014470-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO., INC. (US) 1995-06-01 WO disclosed
WO-1995014671-A1 3-ACYLAMINOBENZAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed
US-3975429-A Cyclopropanemethyl esters of cinnamic acid and derivatives thereof ZOECON CORPORATION (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 (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-20200405863-A1 PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS PGF, LIPA, PDGFA PDPK1 3592/4885FFAR1 713/4885ACLY 1917/4885
US-10456472-B2 Phenylalkylcarboxylic acid delivery agents PGF, LIPA, PDGFA PDPK1 3592/4885FFAR1 713/4885ACLY 1917/4885
US-11253596-B2 Phenylalkylcarboxylic acid delivery agents PGF, LIPA, PDGFA PDPK1 3592/4885FFAR1 713/4885ACLY 1917/4885

“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.