SCHEMBL320588

SCHEMBL320588

CCc1cccc(CC)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 4/20 0.50
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
MGLL Q99685 1/20 0.35
PDK2 Q15119 1/20 0.35
CTSB P07858 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
HTR1A P08908 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PADI4 Q9UM07 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL708179 0.86 GABRA1 (0.43) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL606253 0.86 GABRA1 (0.43) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL952521 0.85 GAA (0.41) GABRA1GABRB2TDP1MAPTL3MBTL1
SCHEMBL953300 0.85 GABRA1 (0.48) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL29951885 0.84 GABRA1 (0.52) GABRA1GABRB2
SCHEMBL1480760 0.84 ALDH1A1 (0.43) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL320332 0.84 ALDH1A1 (0.64) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL1527075 0.84 GABRA1 (0.52) GABRA1GABRB2
SCHEMBL10351355 0.83 GABRA1 (0.39) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL29249250 0.81 GABRA1 (0.52) GABRA1GABRB2NPSR1MGLLPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11596716-B2 Compounds and matrices for use in bone growth and repair HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2023-03-07 US claimed
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2021-05-13 US claimed
EP-3038621-A2 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR Human Biomolecular Research Institute (US) 2016-07-06 EP claimed
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2016-02-11 US claimed
WO-2014146039-A2 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2014-09-18 WO claimed
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP claimed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO claimed
US-6150378-A 1-((1-HALO-SUBSTITUTEDBENZOYLAMINO)-2-PHENYLETHYL)-CARBONYL -CARBONYLAMINO),2-PHENYL OR PYRID-2-YLSULFAMIDO)ETHANE DERIVATIVES; MUSCULAR DYSTROPHY, NEURODEGENERATION, STROKE, ALZHEIMER'S, AMYOTROPHY, MOTOR NEURON DAMAGE, CNS INJURY CEPHALON, INC. (US) 2000-11-21 US claimed
US-11596716-B2 Compounds and matrices for use in bone growth and repair HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2023-03-07 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2021-05-13 US disclosed
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2021-05-06 US disclosed
US-10874766-B2 Compounds and matrices for use in bone growth and repair HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2020-12-29 US disclosed
EP-0172509-A2 Process for the preparation of optically active, substituted 1,4-dihydropyridines and their use as medicaments CASSELLA Aktiengesellschaft (DE) 1986-02-26 EP disclosed
US-4558058-A HYPOTENSIVE AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1985-12-10 US disclosed
US-4548951-A CARDIOVASCULAR REGULATORS SYNTEX (U.S.A.) INC. (US) 1985-10-22 US disclosed
US-4515719-A Azetidinone sulfinic acids from cephalosporin sulfones ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0132395-A1 Improvements in or relating to the preparation of azetidinone sulfinic acids from cephalosporin sulfones ELI LILLY AND COMPANY (US) 1985-01-30 EP disclosed
EP-0116708-A1 Substituted 1,4-dihydropyridines, method for their preparation and their use as pharmaceuticals CASSELLA Aktiengesellschaft (DE) 1984-08-29 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 (6 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-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 GABRA1 2678/4885GABRB2 3723/4885ALDH1A1 2196/4885
US-10874766-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 GABRA1 4221/4885GABRB2 2844/4885ALDH1A1 1461/4885
US-11596716-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 GABRA1 4588/4885GABRB2 3615/4885ALDH1A1 1413/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 GABRA1 4588/4885GABRB2 3615/4885ALDH1A1 1413/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 GABRA1 2678/4885GABRB2 3723/4885ALDH1A1 2196/4885
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 GABRA1 4263/4885GABRB2 2897/4885ALDH1A1 1157/4885

“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.