SCHEMBL12438113

SCHEMBL12438113

CCCCO/N=C(\C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
LMNA P02545 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL10141763 0.92 CES2 (0.38) ESR1TSHRLMNA
SCHEMBL10120816 0.81 ESR1 (0.36) ESR1ALDH1A1LMNA
SCHEMBL10119367 0.78 ESR1 (0.34) ESR1ALDH1A1LMNA
SCHEMBL12590944 0.77
SCHEMBL10073308 0.77
SCHEMBL4723061 0.77
SCHEMBL2755823 0.77
SCHEMBL13488640 0.77
SCHEMBL9975249 0.76 SLC6A4 (0.32) LMNA
SCHEMBL28017496 0.75 ESR1 (0.46) ESR1ALDH1A1TSHRADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 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 (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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 ESR1 3279/4885ALDH1A1 901/4885TSHR 4720/4885

“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.