SCHEMBL2015463

SCHEMBL2015463

CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)Oc1cc(O)cc(C=Cc2ccc(O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.54
CYP3A4 P08684 4/20 0.54
CYP1A2 P05177 3/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
PPARG P37231 2/20 0.54
MAPK1 P28482 2/20 0.54
ABCB11 O95342 2/20 0.54
TSHR P16473 2/20 0.54
HTR2A P28223 2/20 0.54
PMP22 Q01453 2/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP2C19 P33261 2/20 0.54
ABCG2 Q9UNQ0 2/20 0.54
HPGD P15428 2/20 0.54
USP2 O75604 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL2015460 1.00 PPARA (0.54) PPARACYP3A4CYP1A2MEN1MAPT
SCHEMBL2019430 0.94 ELANE (0.55) PPARACYP3A4CYP1A2MEN1MAPT
SCHEMBL2019433 0.94 ELANE (0.55) PPARACYP3A4CYP1A2MEN1MAPT
SCHEMBL12573959 0.94 PPARA (0.50) PPARACYP3A4CYP1A2MEN1MAPT
SCHEMBL12573958 0.90 ELANE (0.51) PPARACYP3A4CYP1A2MEN1MAPT
SCHEMBL12573689 0.90 CYP3A4 (0.59) PPARACYP3A4CYP1A2MEN1MAPT
SCHEMBL2022554 0.88 ELANE (0.53) PPARACYP3A4CYP1A2MEN1MAPT
SCHEMBL2022555 0.88 ELANE (0.53) PPARACYP3A4CYP1A2MEN1MAPT
SCHEMBL13928100 0.87 ELANE (0.54) PPARACYP3A4CYP1A2MEN1MAPT
SCHEMBL13928101 0.86 CYP3A4 (0.51) PPARACYP3A4CYP1A2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160225-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-30 US disclosed
US-20090054450-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2009-02-26 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 (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-20110160225-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS LIPC, PNLIP, LIPA PPARA 93/4885CYP3A4 1243/4885CYP1A2 889/4885
US-20090054450-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS LIPC, PNLIP, LIPA PPARA 93/4885CYP3A4 1243/4885CYP1A2 889/4885

“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.