SCHEMBL2155906

SCHEMBL2155906

Cc1cc(C)c2c(c1)C(=O)C(CCC(=O)O)(CCC(=O)O)CO2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.34
FABP4 P15090 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
GPR17 Q13304 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2155244 0.79 MEN1 (0.43) HPGDTSHRMEN1KMT2A
SCHEMBL2156098 0.76 CYP19A1 (0.39) TSHRMEN1KMT2A
SCHEMBL4622838 0.71 SIRT2 (0.35) SIRT2KMT2A
SCHEMBL4622835 0.71 SIRT2 (0.35) SIRT2KMT2A
SCHEMBL2155852 0.68 CYP19A1 (0.43) HPGDMEN1KMT2A
SCHEMBL2155276 0.67 MAPT (0.40) HPGDTSHRMEN1KMT2A
SCHEMBL2155246 0.64 TSHR (0.39) NPSR1HPGDTSHR
SCHEMBL14883877 0.62 SIRT2 (0.45) SIRT2
SCHEMBL4968297 0.60 KMO (0.52) TSHRMEN1KMT2A
SCHEMBL8793611 0.59 AKR1B1 (0.38) HPGDTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 US claimed
US-7973072-B2 Pain, eating disorders, neurodegenerative disorders, memory impairment; attention deficit syndrome, opioid tolerance, drug addiction; (4-oxothiochroman-3,3-diyl)bis(methylene)bis(3-(trifluoromethyl)benzoate for example GRUENENTHAL GMBH (DE) 2011-07-05 US disclosed
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 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 (1 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-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production BCKDK, SYMPK, DHPS SIRT2 1043/4885FABP4 2297/4885NPSR1 2327/4885

“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.