SCHEMBL10160933

SCHEMBL10160933

CC/C=C/c1ccc(F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
TSHR P16473 1/20 0.39
NFE2L2 Q16236 2/20 0.39
CHAT P28329 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
EBP Q15125 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 2/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 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
SCHEMBL29371144 1.00 TRPA1 (0.48) TRPA1TSHRNFE2L2CHATMEN1
SCHEMBL29373832 0.85 NFE2L2 (0.39) TRPA1NFE2L2CHATGRIK1GRIK2
SCHEMBL256052 0.82 CHAT (0.50) CHATGRIK1GRIK2ALDH1A1KCNH2
SCHEMBL27616383 0.82 NFE2L2 (0.57) TRPA1NFE2L2ALDH1A1CYP3A4RECQL
SCHEMBL14604964 0.82 NFE2L2 (0.57) TRPA1NFE2L2ALDH1A1CYP3A4RECQL
SCHEMBL28117454 0.82 TRPA1 (0.51) TRPA1TSHRMEN1KMT2AALDH1A1
SCHEMBL21021173 0.79 CHAT (0.47) TRPA1TSHRNFE2L2CHATRAB9A
SCHEMBL13514030 0.79 TRPA1 (0.44) TRPA1TSHRNFE2L2CHATMEN1
SCHEMBL9655144 0.79 TRPA1 (0.44) TRPA1TSHRNFE2L2CHATMEN1
SCHEMBL256051 0.77 APP (0.39) CHATSIGMAR1TMEM97EBP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
EP-1506214-B1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARM INC (US) 2010-01-20 EP disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 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 (2 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-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 TRPA1 3286/4885TSHR 4172/4885NFE2L2 1981/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 TRPA1 3286/4885TSHR 4172/4885NFE2L2 1981/4885

“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.