SCHEMBL17852158

SCHEMBL17852158

COc1ccc(/C=C/c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(/C=C/c5ccc(C)cc5)cc4)cc(N(c4ccccc4)c4ccc(/C=C/c5ccc(OC)cc5)cc4)c3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 5/20 0.62
TRPA1 O75762 1/20 0.57
TRPM8 Q7Z2W7 3/20 0.49
TUBB1 Q9H4B7 2/20 0.47
PTGS2 P35354 3/20 0.47
ESR1 P03372 2/20 0.47
ALOX5 P09917 2/20 0.47
CYP1A1 P04798 2/20 0.47
CYP1B1 Q16678 2/20 0.47
ABL1 P00519 1/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47
CYP19A1 P11511 1/20 0.47
NQO2 P16083 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
AHR P35869 1/20 0.47

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
SCHEMBL4407615 0.95 RELA (0.68) RELATRPA1TRPM8TUBB1PTGS2
SCHEMBL16489743 0.95 RELA (0.68) RELATRPA1TRPM8TUBB1PTGS2
SCHEMBL10704229 0.95 RELA (0.68) RELATRPA1TRPM8TUBB1PTGS2
SCHEMBL17852531 0.94 TRPA1 (0.65) RELATRPA1TRPM8TUBB1PTGS2
SCHEMBL12680433 0.92 RELA (0.68) RELATRPA1TRPM8TUBB1MAOA
SCHEMBL13807850 0.91 RELA (0.62) RELATRPA1TRPM8TUBB1PTGS2
SCHEMBL4402914 0.89 TRPA1 (0.71) RELATRPA1TRPM8TUBB1PTGS2
SCHEMBL12576222 0.89 RELA (0.78) RELATRPA1TUBB1PTGS2ESR1
SCHEMBL10015741 0.89 RELA (0.78) RELATRPA1TUBB1PTGS2ESR1
SCHEMBL16489738 0.89 RELA (0.78) RELATRPA1TUBB1PTGS2ESR1

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-9494881-B2 Triarylamine derivative and electrophotographic photosensitive member KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2016-11-15 US disclosed
US-20160179020-A1 TRIARYLAMINE DERIVATIVE AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2016-06-23 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-20160179020-A1 TRIARYLAMINE DERIVATIVE AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER CRY1, CRY2, PAH RELA 3106/4885TRPA1 592/4885TRPM8 4155/4885

“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.