SCHEMBL9720573

SCHEMBL9720573

CCC(=O)c1cc(C)c(C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.46
BRD4 O60885 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
PTGS1 P23219 1/20 0.40
DRD3 P35462 1/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.39
PPARG P37231 2/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL6812056 0.84 KMT2A (0.51) PPARAMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27986848 0.82 PPARA (0.44) PPARABRD4BAZ2BBAZ2AMAPT
SCHEMBL2274464 0.82 CYP3A4 (0.44) PPARABRD4BAZ2BBAZ2AMAPT
SCHEMBL17826360 0.82 PPARA (0.44) PPARABRD4BAZ2BBAZ2AMAPT
SCHEMBL11382828 0.82 MAPT (0.50) PPARABRD4BAZ2BBAZ2AMAPT
SCHEMBL7840608 0.81 KMT2A (0.37) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5253980 0.79 KMT2A (0.36) PPARAMAPTALDH1A1MEN1KMT2A
SCHEMBL11956604 0.79 GSK3B (0.54) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9274961 0.79 KMT2A (0.40) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28757019 0.79 CYP3A4 (0.48) PPARABRD4BAZ2BBAZ2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233714-A1 NOVEL GADOLINIUM-BASED COMPOUND, METHOD FOR PRODUCING SAME, AND MRI CONTRAST AGENT CONTAINING SAME KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2023-07-27 US disclosed
US-11649203-B2 Polymeric biomaterials derived from phenolic monomers and their medical uses RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-05-16 US disclosed
US-20200369597-A1 POLYMERIC BIOMATERIALS DERIVED FROM PHENOLIC MONOMERS AND THEIR MEDICAL USES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-26 US disclosed
US-10030009-B2 Flavonoid derivative compounds and method for preparing same by depolymerization of condensed tannins INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 2018-07-24 US disclosed
US-20170260170-A1 FLAVONOID DERIVATIVE COMPOUNDS AND METHOD FOR PREPARING SAME BY DEPOLYMERIZATION OF CONDENSED TANNINS INSTITUT NATIONAL D'ETUDES SUPERIEURES AGRONOMIQUES DE MONTPELLIER (MONTPELLIER SUP AGRO) (FR) 2017-09-14 US disclosed
US-5103022-A Reacting dl-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino -1-propanone with l-acetylphenylglycine to form corresponding diastereomeric salt, deposition, isolation of l-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino-1-propanone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-04-07 US disclosed
US-5057535-A Muscle relaxants NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-10-15 US disclosed
EP-0200942-A2 New derivatives of an aminoketone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1986-11-12 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-10030009-B2 Flavonoid derivative compounds and method for preparing same by depolymerization of condensed tannins C9, MRPS27, RPS7 PPARA 3803/4885BRD4 2331/4885BAZ2B 4272/4885
US-20170260170-A1 FLAVONOID DERIVATIVE COMPOUNDS AND METHOD FOR PREPARING SAME BY DEPOLYMERIZATION OF CONDENSED TANNINS C9, MRPS27, RPS7 PPARA 3803/4885BRD4 2331/4885BAZ2B 4272/4885
US-20200369597-A1 POLYMERIC BIOMATERIALS DERIVED FROM PHENOLIC MONOMERS AND THEIR MEDICAL USES TH, TYR, TYRO3 PPARA 1914/4885BRD4 1913/4885BAZ2B 4520/4885
US-20230233714-A1 NOVEL GADOLINIUM-BASED COMPOUND, METHOD FOR PRODUCING SAME, AND MRI CONTRAST AGENT CONTAINING SAME GLRX3, GMNN, GRM2 PPARA 741/4885BRD4 1175/4885BAZ2B 899/4885
US-11649203-B2 Polymeric biomaterials derived from phenolic monomers and their medical uses TH, TYR, TYRO3 PPARA 1914/4885BRD4 1913/4885BAZ2B 4520/4885

“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.