SCHEMBL4890148

SCHEMBL4890148

CCCCC(CC)COc1c(C(C)C)cc(C(=O)C(=O)O)cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 4/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CA2 P00918 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
GLRA1 P23415 2/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RXRA P19793 2/20 0.35
PPARG P37231 2/20 0.35
RARG P13631 1/20 0.35
RECQL P46063 1/20 0.34

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
SCHEMBL4890126 0.84 GLRA1 (0.46) ALDH1A1TSHRGLRA1THRATHRB
SCHEMBL4898263 0.81 PLA2G2A (0.51) TSHRGLRA1THRATHRBRXRA
SCHEMBL16247117 0.74 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL13321343 0.73 PLA2G2A (0.59) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL29281966 0.69 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL16246669 0.69 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL6702817 0.69 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL15198920 0.69 CYP3A4 (0.46) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL2850156 0.69 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL13321344 0.69 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRMAPK1LMNA

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 ALDH1A1 962/4885CYP3A4 500/4885TSHR 660/4885

“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.