SCHEMBL2019433

SCHEMBL2019433

CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.55
PPARA Q07869 6/20 0.55
CYP3A4 P08684 4/20 0.55
MEN1 O00255 4/20 0.55
MAPT P10636 4/20 0.55
KMT2A Q03164 4/20 0.55
CYP1A2 P05177 3/20 0.55
LMNA P02545 3/20 0.55
PPARG P37231 2/20 0.55
ABCB11 O95342 2/20 0.55
TSHR P16473 2/20 0.55
HTR2A P28223 2/20 0.55
PMP22 Q01453 2/20 0.55
CYP2C19 P33261 2/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.55
ABCG2 Q9UNQ0 2/20 0.55
USP2 O75604 1/20 0.55
ADORA3 P0DMS8 1/20 0.55

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
SCHEMBL2019430 1.00 ELANE (0.55) ELANEPPARACYP3A4MEN1MAPT
SCHEMBL2015460 0.94 PPARA (0.54) ELANEPPARACYP3A4MEN1MAPT
SCHEMBL2015463 0.94 PPARA (0.54) ELANEPPARACYP3A4MEN1MAPT
SCHEMBL12573958 0.94 ELANE (0.51) ELANEPPARACYP3A4MEN1MAPT
SCHEMBL13928100 0.90 ELANE (0.54) ELANEPPARACYP3A4MEN1MAPT
SCHEMBL2022554 0.89 ELANE (0.53) ELANEPPARACYP3A4MEN1MAPT
SCHEMBL2022555 0.89 ELANE (0.53) ELANEPPARACYP3A4MEN1MAPT
SCHEMBL12573689 0.89 CYP3A4 (0.59) ELANEPPARACYP3A4MEN1MAPT
SCHEMBL12573959 0.88 PPARA (0.50) ELANEPPARACYP3A4MEN1MAPT
SCHEMBL13928101 0.85 CYP3A4 (0.51) ELANEPPARACYP3A4MEN1MAPT

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-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
WO-2008157537-A2 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC (US) 2008-12-24 WO 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 ELANE 879/4885PPARA 93/4885CYP3A4 1243/4885
US-20090054450-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS LIPC, PNLIP, LIPA ELANE 879/4885PPARA 93/4885CYP3A4 1243/4885

“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.