SCHEMBL6014583

SCHEMBL6014583

CC(C=CN)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.44
TAAR1 Q96RJ0 3/20 0.43
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NOS2 P35228 1/20 0.41
DPP4 P27487 2/20 0.40
F2 P00734 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6014580 1.00 TRPA1 (0.44) TRPA1TAAR1ADRA2AADRA2CLMNA
SCHEMBL1462504 0.80 TRPA1 (0.47) TRPA1TAAR1ADRA2AADRA2CLMNA
SCHEMBL1462503 0.80 TRPA1 (0.47) TRPA1TAAR1ADRA2AADRA2CLMNA
SCHEMBL15914233 0.78 TRPA1 (0.45) TRPA1TAAR1ADRA2AADRA2CLMNA
SCHEMBL5855141 0.78 TRPA1 (0.45) TRPA1TAAR1ADRA2AADRA2CLMNA
SCHEMBL5855165 0.78 TRPA1 (0.45) TRPA1TAAR1ADRA2AADRA2CLMNA
SCHEMBL7449638 0.76 TRPA1 (0.44) TRPA1TAAR1ADRA2AADRA2CLMNA
SCHEMBL1454752 0.76 TRPA1 (0.44) TRPA1TAAR1ADRA2AADRA2CLMNA
SCHEMBL27588987 0.76 TRPA1 (0.44) TRPA1TAAR1ADRA2AADRA2CLMNA
SCHEMBL4071497 0.76 TRPA1 (0.48) TRPA1TAAR1ADRA2AADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
EP-1442027-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-04 EP disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 US disclosed
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 WO 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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TRPA1 2180/4885TAAR1 2085/4885ADRA2A 2908/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TRPA1 2180/4885TAAR1 2085/4885ADRA2A 2908/4885

“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.