SCHEMBL14123777

SCHEMBL14123777

C=CC(=O)OCCCN(C(=O)N(C)c1cccc(N(C)C(=O)N(CCCOC(=O)C=C)c2ccccc2)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 3/20 0.37
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 1/20 0.34
JAK2 O60674 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA2C P18825 1/20 0.34
MTNR1A P48039 2/20 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
SCHEMBL14123743 0.94 THRB (0.46) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14123772 0.93 THRB (0.45) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14123765 0.86 THRB (0.48) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14123725 0.85 THRB (0.47) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14123774 0.82 HSD17B1 (0.39) THRBALDH1A1NPC1JAK2RAB9A
SCHEMBL14123744 0.81 THRB (0.39) THRBTSHRALDH1A1CYP3A4GLA
SCHEMBL14123740 0.80 THRB (0.42) THRBTSHRALDH1A1KDM4EGLA
SCHEMBL14123776 0.80 BCL2A1 (0.41) THRBALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL14123768 0.80 TACR1 (0.46) THRBALDH1A1KDM4E
SCHEMBL14123775 0.80 ALDH1A1 (0.54) THRBTSHRHPGDALDH1A1KDM4E

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.