SCHEMBL18159839

SCHEMBL18159839

COc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(/C=C/C=C/c3ccc(N(c4ccc(C)cc4C)c4ccc(C)cc4C)cc3)c3ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
RELA Q04206 3/20 0.33
BCHE P06276 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
TRPA1 O75762 1/20 0.32
INSR P06213 1/20 0.32
SNCA P37840 2/20 0.32
LMNA P02545 1/20 0.32
MAPK10 P53779 1/20 0.31

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
SCHEMBL18159877 0.94 NFE2L2 (0.34) TRPM8KEAP1NFE2L2RELABCHE
SCHEMBL18157322 0.93 TRPM8 (0.32) TRPM8CYP3A4ALDH1A1MAPT
SCHEMBL18159786 0.92 RELA (0.37) TRPM8KEAP1NFE2L2RELABCHE
SCHEMBL12422879 0.92 RELA (0.36) TRPM8KEAP1NFE2L2RELABCHE
SCHEMBL18157321 0.89 TRPM8 (0.41) TRPM8KEAP1NFE2L2RELABCHE
SCHEMBL18157332 0.89 CYP1A1 (0.34) TRPM8KEAP1NFE2L2RELABCHE
SCHEMBL18159845 0.89 CYP1A1 (0.35) TRPM8KEAP1NFE2L2RELABCHE
SCHEMBL18159767 0.88 RELA (0.37) TRPM8KEAP1NFE2L2RELABCHE
SCHEMBL10024162 0.88 NFE2L2 (0.39) TRPM8KEAP1NFE2L2RELABCHE
SCHEMBL9973917 0.88 NFE2L2 (0.39) TRPM8KEAP1NFE2L2RELABCHE

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-9663447-B2 Asymmetric butadiene-based charge transport compound, electrophotographic photoreceptor containing same, and image forming apparatus S-PRINTING SOLUTION CO., LTD. (KR) 2017-05-30 US disclosed
US-20160304437-A1 ASYMMETRIC BUTADIENE-BASED CHARGE TRANSPORT COMPOUND, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CONTAINING SAME, AND IMAGE FORMING APPARATUS SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-10-20 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-20160304437-A1 ASYMMETRIC BUTADIENE-BASED CHARGE TRANSPORT COMPOUND, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CONTAINING SAME, AND IMAGE FORMING APPARATUS ALDH1A2, USE1, SLC9A1 TRPM8 138/4885KEAP1 509/4885NFE2L2 710/4885

“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.