SCHEMBL222867

SCHEMBL222867

CCC(O)(C#CC(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ KCNN4 O15554 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL29211072 0.86 CYP2C19 (0.40) CYP2C19HIF1ALMNAHTTL3MBTL1
SCHEMBL29211091 0.83 CHRM2 (0.46) CYP2C19HIF1ALMNAHTTL3MBTL1
SCHEMBL29211095 0.82 CHRM2 (0.46) LMNAHTTL3MBTL1KIF11CHRM2
SCHEMBL29211131 0.81 CHRM2 (0.46) KIF11CHRM2CHRM3
SCHEMBL31314899 0.81 CHRM2 (0.46) KIF11CHRM2CHRM3
SCHEMBL17974914 0.79 CYP2C19 (0.41) CYP2C19HIF1AALDH1A1KCNN4CYP1A2
SCHEMBL8755602 0.73 CYP2D6 (0.42) CYP2C19HIF1ALMNAALDH1A1MAPT
SCHEMBL1456006 0.73 ALDH1A1 (0.38) CYP2C19HIF1ALMNAHTTL3MBTL1
SCHEMBL1604732 0.69 CYP2C19 (0.59) CYP2C19HIF1ALMNAHTTL3MBTL1
SCHEMBL7899580 0.69 CYP2C19 (0.47) CYP2C19HIF1ALMNAHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376256-A1 ORGANIC BINDER, COMPOSITION FOR PRODUCING INORGANIC MATERIAL MOLDED ARTICLE, GREEN BODY, DEGREASED BODY, INORGANIC MATERIAL MOLDED ARTICLE, AND METHOD OF PRODUCING INORGANIC MATERIAL MOLDED ARTICLE KUREHA CORPORATION (JP) 2024-11-14 — — US disclosed
US-11964938-B2 3-phenyl-4-hexynoic acid derivatives as GPR40 agonists CELON PHARMA S.A. (PL) 2024-04-23 — — US disclosed
EP-3737470-B9 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS Celon Pharma Sa (PL) 2024-03-13 — — EP disclosed
CN-117529377-A Organic binder, composition for producing inorganic material molded body, green body, degreased body, inorganic material molded body, and method for producing inorganic material molded body 株式会社吴羽 2024-02-06 — — CN disclosed
CN-111757770-B 3-Phenyl-4-hexynoic acid derivatives as GPR40 agonists 赛隆制药股份公司 2023-10-03 — — CN disclosed
EP-3737470-B1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS Celon Pharma Sa (PL) 2022-12-14 — — EP disclosed
US-20200399198-A1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS CELON PHARMA S.A. (PL) 2020-12-24 — — US disclosed
EP-3737470-A1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS CELON PHARMA S.A. (PL) 2020-11-18 — — EP disclosed
CN-111757770-A 3-phenyl-4-hexynoic acid derivatives as GPR40 agonists 赛隆制药股份公司 2020-10-09 — — CN disclosed
WO-2019134984-A1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS CELON PHARMA S.A. (PL) 2019-07-11 — — WO disclosed
CN-104780915-A Compositions comprising statins, biguanides and further agents for reducing cardiometabolic risk ELCELYX THERAPEUTICS INC 2015-07-15 — — CN disclosed
EP-2590929-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2013-05-15 — — EP disclosed
CN-103080063-A Aryloxy-alkylene substituted hydroxyphenyl hexynoic acids, methods for the production thereof and use of the same as medicament SANOFI SA 2013-05-01 — — CN disclosed
CN-103080063-A Aryloxy-alkylene substituted hydroxyphenyl hexynoic acids, methods for the production thereof and use of the same as medicament SANOFI SA 2013-05-01 — — CN disclosed
WO-2012010413-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-26 — — WO disclosed
US-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 — — US disclosed
US-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 — — 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-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT HCAR1, HCAR3, CYP2C9 CYP2C19 18/4885HIF1A 1086/4885LMNA 3353/4885
US-20200399198-A1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS GPR119, FFAR1, GPR65 CYP2C19 1268/4885HIF1A 784/4885LMNA 3673/4885
US-11964938-B2 3-phenyl-4-hexynoic acid derivatives as GPR40 agonists GPR119, FFAR1, GPR65 CYP2C19 1268/4885HIF1A 784/4885LMNA 3673/4885

“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.

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