SCHEMBL670335

SCHEMBL670335

Cc1ccc(C#CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.58
FFAR1 O14842 6/20 0.52
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL17321113 0.89 VCP (0.49) VCPFFAR1GABRPGABRDGABRA1
SCHEMBL9629232 0.88 FFAR1 (0.50) VCPFFAR1GABRPGABRDGABRA1
SCHEMBL18373296 0.84 VCP (0.45) VCPFFAR1GABRPGABRDGABRA1
SCHEMBL17321112 0.84 VCP (0.45) VCPFFAR1GABRPGABRDGABRA1
SCHEMBL20089259 0.84 VCP (0.55) VCPFFAR1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL12430908 0.82 VCP (0.53) VCPFFAR1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL17321107 0.80 VCP (0.45) VCPFFAR1GABRPGABRDGABRA1
SCHEMBL6781061 0.80 VCP (0.52) VCPFFAR1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL14126185 0.80 VCP (0.52) VCPFFAR1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL6653836 0.79 APP (0.53) FFAR1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113548965-B Preparation method of 1,4 eneyne compound 南京工业大学 2022-07-26 CN claimed
CN-113548965-A Preparation method of 1, 4-eneyne compound 南京工业大学 2021-10-26 CN claimed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP claimed
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-02-07 US claimed
CN-118619904-A Alpha-methylene-gamma-butyrolactone derivative of condensed cyclohexene and synthetic method thereof 华南理工大学 2024-09-10 CN disclosed
US-20230314934-A1 PHOTOACTIVE COMPOUNDS, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2023-10-05 US disclosed
US-20230314934-A1 PHOTOACTIVE COMPOUNDS, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2023-10-05 US disclosed
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-09-26 US disclosed
CN-116675599-A Novel method for synthesizing phenylpropionic acid 大连理工大学 2023-09-01 CN disclosed
CN-111203279-B Sandwich nano material ZIF-8@Au 25 @ ZIF-67 and preparation method and application thereof 安徽大学 2023-04-25 CN disclosed
CN-114945572-A HBF pharmacological inducing compounds for the treatment of sickle cell anemia and beta-thalassemia 刘扶东 2022-08-26 CN disclosed
CN-113548965-B Preparation method of 1,4 eneyne compound 南京工业大学 2022-07-26 CN disclosed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
US-6767906-B2 INHIBIT P34CDC2/CYCLIN BCDC13 KINASE AND PROTEIN TYROSINE KINASE PP60C-SRC AND CAN BE USED FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES, FOR EXAMPLE CHEMOTHERAPY OF TUMOURS OR OSTEOPOROSIS. NOVARTIS AG (CH) 2004-07-27 US disclosed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP disclosed
US-6177438-B1 ANALGESICS, DIURETICS, ANTITUSSIVE AGENTS TORAY INDUSTRIES, INC. (JP) 2001-01-23 US disclosed
EP-0920416-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-06-09 EP disclosed
WO-1998007705-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-26 WO disclosed
EP-0663401-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1995-07-19 EP 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 (5 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-20230314934-A1 PHOTOACTIVE COMPOUNDS, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS CRY1, CBR3, C1S VCP 4727/4885FFAR1 2573/4885GABRP 3742/4885
US-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 VCP 4006/4885FFAR1 350/4885GABRP 786/4885
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments CDK14, CDK1, CCNB1 VCP 1855/4885FFAR1 4790/4885GABRP 4125/4885
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer AR, NR0B1, NCOA3 VCP 4321/4885FFAR1 306/4885GABRP 1718/4885
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 VCP 3377/4885FFAR1 305/4885GABRP 80/4885

“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.