SCHEMBL14525307

SCHEMBL14525307

COC(=O)c1ccc(-c2ccc(CO)c(C=O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.68
EGFR P00533 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 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
SCHEMBL14525304 0.84 HSD17B1 (0.50) ERN1MAPTKMT2A
SCHEMBL14524960 0.81 EGFR (0.52) ERN1EGFRALDH1A1MAPTMEN1
SCHEMBL2806958 0.81 ERN1 (0.73) ERN1EGFRALDH1A1CA12CA1
SCHEMBL14524968 0.81 ERN1 (0.65) ERN1CA12CA1CA2CA9
SCHEMBL12767865 0.81 ERN1 (1.00) ERN1EGFRALDH1A1CA12CA1
SCHEMBL4599080 0.79 ERN1 (0.72) ERN1ALDH1A1MAPTKDM4EMEN1
SCHEMBL2809056 0.78 EGFR (0.52) ERN1EGFRALDH1A1MAPTMEN1
SCHEMBL14524874 0.77 HTT (0.54) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8175589 0.77 KDM4E (0.48) ERN1EGFRALDH1A1MAPTKDM4E
SCHEMBL14609776 0.76 ERN1 (0.39) ERN1ALDH1A1MAPTKDM4EMEN1

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-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 ERN1 4124/4885EGFR 705/4885ALDH1A1 915/4885

“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.