SCHEMBL3575257

SCHEMBL3575257

CC(C)(Oc1cc[c]cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61
PPARG P37231 10/20 0.58
FABP2 P12104 1/20 0.53
SLC22A12 Q96S37 1/20 0.53
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
BLM P54132 1/20 0.49
PPARD Q03181 2/20 0.46
TBXAS1 P24557 2/20 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
SCHEMBL10970721 0.82 PPARA (0.42) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL247466 0.81 PPARA (0.68) PPARAMEN1KMT2ACYP2C19CYP1A2
Ammonia Solution, Strong SCHEMBL7026339 0.79 PPARA (0.66) PPARAMEN1KMT2ACYP2C19CYP1A2
Hydrochloric Acid SCHEMBL8889149 0.79 PPARA (0.66) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL7032523 0.79 PPARA (0.66) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL11545612 0.79 PPARA (0.71) PPARAMEN1KMT2ACYP2C19CYP1A2
Clofibric Acid SCHEMBL11798397 0.78 PPARA (0.96) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL3844599 0.78 PPARA (0.69) PPARAMEN1KMT2ACYP2C19CYP1A2
Methylamine SCHEMBL27865949 0.78 PPARA (0.63) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL1045831 0.78 PPARA (0.69) PPARAMEN1KMT2ACYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006078698-A1 2-IMIDAZOLONE AND 2-IMIDAZOLIDINONE HETEROCYCLIC INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-07-27 WO claimed
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 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 (2 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-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases PPM1B, PPM1D, PTPRS PPARA 2456/4885MEN1 3587/4885KMT2A 3218/4885
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES PPARA 1067/4885MEN1 3621/4885KMT2A 4007/4885

“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.