SCHEMBL14123769

SCHEMBL14123769

C=CC(=O)OCCc1ccc(N(CCC)C(=O)N(CCC)c2ccc(CCOC(=O)C=C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.50
TSHR P16473 4/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
MET P08581 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
THRA P10827 5/20 0.38
HCAR2 Q8TDS4 1/20 0.38
AKR1B10 O60218 1/20 0.36

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
SCHEMBL14123747 0.93 THRB (0.44) THRBTSHRHPGDALDH1A1TP53
SCHEMBL14123738 0.89 THRB (0.49) THRBTSHRHPGDALDH1A1TP53
SCHEMBL9659189 0.86 THRB (0.49) THRBTSHRHPGDALDH1A1TP53
SCHEMBL19532027 0.85 ALDH1A1 (0.55) THRBTSHRHPGDALDH1A1HCAR2
SCHEMBL147731 0.84 THRB (0.68) THRBTSHRHPGDALDH1A1TP53
SCHEMBL11987130 0.83 THRB (0.49) THRBTSHRHPGDALDH1A1TP53
SCHEMBL14123763 0.81 THRB (0.44) THRBTSHRHPGDALDH1A1TP53
SCHEMBL3752742 0.81 THRB (0.48) THRBTSHRHPGDALDH1A1TP53
SCHEMBL1629894 0.80 THRB (0.47) THRBTSHRHPGDALDH1A1TP53
SCHEMBL14408226 0.80 THRB (0.47) THRBTSHRHPGDALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962227-B2 Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus, method of producing electrophotographic photosensitive member, and urea compound CANON KABUSHIKI KAISHA (JP) 2015-02-24 US disclosed
US-20120301177-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, METHOD OF PRODUCING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, AND UREA COMPOUND CANON KABUSHIKI KAISHA (JP) 2012-11-29 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-20120301177-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, METHOD OF PRODUCING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, AND UREA COMPOUND SLC14A1, ITCH, UROD THRB 4300/4885TSHR 3941/4885HPGD 688/4885

“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.