SCHEMBL4898800

SCHEMBL4898800

CCCCCCCOc1c(C)cc(C(=O)C(=O)O)cc1C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.63
THRB P10828 5/20 0.63
PLA2G2A P14555 2/20 0.55
ESR1 P03372 1/20 0.51
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
S1PR2 O95136 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
LPAR2 Q9HBW0 1/20 0.47
PLA2G4B P0C869 1/20 0.46
BLM P54132 1/20 0.46
RARB P10826 1/20 0.44

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
SCHEMBL4898942 0.93 THRA (0.55) THRATHRBPLA2G2AESR1KDM4E
SCHEMBL8644661 0.89 PLA2G2A (0.66) THRATHRBPLA2G2AESR1TP53
SCHEMBL25788081 0.89 PLA2G2A (0.66) THRATHRBPLA2G2AESR1TP53
SCHEMBL2358713 0.89 PLA2G2A (0.66) THRATHRBPLA2G2AESR1TP53
SCHEMBL13617706 0.84 THRA (0.63) THRATHRBPLA2G2AESR1MEN1
SCHEMBL11343479 0.84 THRA (0.63) THRATHRBPLA2G2AESR1TP53
SCHEMBL9402785 0.83 PLA2G2A (0.78) PLA2G2ATP53TSHRPLA2G4BBLM
SCHEMBL2309071 0.83 ESR1 (0.75) THRATHRBESR1ALDH1A1
SCHEMBL4891284 0.83 PLA2G2A (0.54) THRATHRBPLA2G2AESR1TP53
SCHEMBL1749419 0.81 THRA (0.56) THRATHRBPLA2G2AESR1TP53

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-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
EP-1729756-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2006-12-13 EP disclosed
WO-2005094810-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2005-10-13 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 (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-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 THRA 559/4885THRB 792/4885PLA2G2A 2747/4885

“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.