SCHEMBL10015741

SCHEMBL10015741

COc1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C)cc4)cc3)c3ccc(/C=C/c4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.78
ACHE P22303 1/20 0.56
TRPA1 O75762 1/20 0.55
CYP1A2 P05177 3/20 0.53
CYP1A1 P04798 3/20 0.53
PTGS2 P35354 3/20 0.53
CYP1B1 Q16678 3/20 0.53
ESR1 P03372 2/20 0.53
TUBB1 Q9H4B7 2/20 0.53
ALOX5 P09917 2/20 0.53
ABL1 P00519 1/20 0.53
TTR P02766 1/20 0.53
ABCB1 P08183 1/20 0.53
BCR P11274 1/20 0.53
CYP19A1 P11511 1/20 0.53
NQO2 P16083 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
AHR P35869 1/20 0.53

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
SCHEMBL4400838 1.00 RELA (0.78) RELAACHETRPA1CYP1A2CYP1A1
SCHEMBL7870286 1.00 RELA (0.78) RELAACHETRPA1CYP1A2CYP1A1
SCHEMBL7904561 1.00 RELA (0.78) RELAACHETRPA1CYP1A2CYP1A1
SCHEMBL8943803 1.00 RELA (0.78) RELAACHETRPA1CYP1A2CYP1A1
SCHEMBL7904563 1.00 RELA (0.78) RELAACHETRPA1CYP1A2CYP1A1
SCHEMBL16489738 1.00 RELA (0.78) RELAACHETRPA1CYP1A2CYP1A1
SCHEMBL12576222 1.00 RELA (0.78) RELAACHETRPA1CYP1A2CYP1A1
SCHEMBL10126409 1.00 RELA (0.78) RELAACHETRPA1CYP1A2CYP1A1
SCHEMBL1366377 1.00 RELA (0.78) RELAACHETRPA1CYP1A2CYP1A1
SCHEMBL905712 1.00 RELA (0.78) RELAACHETRPA1CYP1A2CYP1A1

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-8859818-B2 Electrophotographic photoreceptor TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-10-14 US disclosed
US-20120022293-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-01-26 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-20120022293-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR SLC1A2, SLC18A2, SLC1A1 RELA 3526/4885ACHE 3634/4885TRPA1 265/4885

“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.