SCHEMBL1746302

SCHEMBL1746302

CC(C)(C)c1ccc(C#CCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.52
RARG P13631 1/20 0.52
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
KIF11 P52732 1/20 0.44
MMP2 P08253 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
SCHEMBL6446069 0.82 MMP2 (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6297940 0.81 GABRP (0.54) RARBRARGGABRPGABRDGABRA1
SCHEMBL8960112 0.81 RARB (0.48) RARBRARGGABRPGABRDGABRA1
SCHEMBL25413986 0.79 RARB (0.65) RARBRARGKIF11ACACBLMNA
SCHEMBL7038356 0.79 CYP2C19 (0.54) RARBRARGKIF11ACACBLMNA
SCHEMBL28847040 0.79 RARB (0.47) RARBRARGKIF11ACACBLMNA
SCHEMBL1745119 0.79 KIF11 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10176271 0.78 CYP2A6 (0.47) RARBRARGKIF11ACACBLMNA
SCHEMBL11772398 0.78 RARB (0.55) RARBRARGKIF11ACACBLMNA
SCHEMBL13761821 0.78 RARB (0.46) RARBRARGKIF11ACACBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 CN claimed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 CN claimed
EP-4225762-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2026-05-27 EP disclosed
US-12612416-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2026-04-28 US disclosed
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 CN disclosed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 CN disclosed
US-20230365587-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-16 US disclosed
US-20230365587-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-16 US disclosed
US-20230365587-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-16 US disclosed
EP-4225762-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
CN-110483400-B Preparation method of pyrazole derivative 上海应用技术大学 2023-04-28 CN disclosed
EP-2386540-A1 Novel compounds, their preparation and use High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed
US-20110245244-A1 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2011-10-06 US disclosed
US-7943613-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-05-17 US disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20090093484-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE VTVX HOLDINGS II LLC 2009-04-09 US disclosed
US-6242478-B1 ANTICARCINOGENIC AGENTS; REPLICATION INHIBITORS OF HUMAN LYMPHADENOPATHY ASSOCIATED VIRUS(HIV) WAKE FOREST UNIVERSITY 2001-06-05 US disclosed
US-6103743-A Unsaturated amino acid derivatives ALLELIX NEUROSCIENCE, INC. (US) 2000-08-15 US disclosed
US-4996365-A Preparation of alkyl-substituted cinnamaldehydes BASF AKTIENGESELLSCHAFT (DE) 1991-02-26 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 (4 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-20090093484-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE PPARG, PPARD, PPARA RARB 51/4885RARG 68/4885GABRP 232/4885
US-12612416-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, CLCN2, CLIC1 RARB 661/4885RARG 725/4885GABRP 774/4885
US-20230365587-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B RARB 578/4885RARG 610/4885GABRP 267/4885
US-20110245244-A1 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS PPARG, PPARA, PPARD RARB 26/4885RARG 51/4885GABRP 73/4885

“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.