SCHEMBL6014514

SCHEMBL6014514

C(=C/NCc1ccccc1)\CCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.50
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH7 P40394 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MAOB P27338 1/20 0.41
EPHX2 P34913 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
SCHEMBL6014516 1.00 SIGMAR1 (0.50) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL6014624 0.98 SIGMAR1 (0.51) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL6014621 0.98 SIGMAR1 (0.51) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL6014397 0.87 ADH1B (0.50) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL6014393 0.87 ADH1B (0.50) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL9500860 0.84 EPHX2 (0.55) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL28944432 0.83 EPHX2 (0.57) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL855606 0.82 EPHX2 (0.49) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL5038019 0.76 SIGMAR1 (0.44) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL8713797 0.76 ADH1B (0.65) ADH1BADH1CADH1AADH7MAOA

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 SIGMAR1 1287/4885ADH1B 2458/4885ADH1C 2038/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 SIGMAR1 1287/4885ADH1B 2458/4885ADH1C 2038/4885

“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.