SCHEMBL14123770

SCHEMBL14123770

C=C(C)C(=O)OCc1cccc(N(C)C(=O)N(C)c2cccc(COC(=O)C(=C)C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
MDM2 Q00987 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
STAT1 P42224 1/20 0.36
SCN9A Q15858 1/20 0.35
SIGMAR1 Q99720 4/20 0.35
RXFP1 Q9HBX9 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL11075711 0.89 ALDH1A1 (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL10322053 0.83 ALDH1A1 (0.48) ALDH1A1RAB9AKDM4EL3MBTL1GAA
SCHEMBL14123766 0.81 HCAR2 (0.41) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL2034031 0.80 IDO1 (0.49) ALDH1A1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL1904651 0.79 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1
SCHEMBL14123773 0.79 THRB (0.37) ALDH1A1RAB9ASMN1; SMN2HPGDNPC1
SCHEMBL4361517 0.78 ALDH1A1 (0.43) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL10724696 0.78 MAOB (0.52) ALDH1A1
SCHEMBL28197894 0.78 ALDH1A1 (0.43) ALDH1A1RAB9AKDM4ENPC1GAA
SCHEMBL9555001 0.78 ALDH1A1 (0.43) ALDH1A1RAB9AKDM4EHTTGAA

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 4 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-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
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 ALDH1A1 972/4885MAPT 1419/4885RAB9A 2306/4885

“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.