SCHEMBL6014393

SCHEMBL6014393

C(=C/NCc1ccccc1)\CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.50
ADH1C P00326 1/20 0.50
ADH1A P07327 1/20 0.50
ADH7 P40394 1/20 0.50
GPR52 Q9Y2T5 9/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
IDO1 P14902 2/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6014397 1.00 ADH1B (0.50) ADH1BADH1CADH1AADH7GPR52
SCHEMBL6014514 0.87 SIGMAR1 (0.50) ADH1BADH1CADH1AADH7SIGMAR1
SCHEMBL6014516 0.87 SIGMAR1 (0.50) ADH1BADH1CADH1AADH7SIGMAR1
SCHEMBL6014621 0.85 SIGMAR1 (0.51) ADH1BADH1CADH1AADH7MAPT
SCHEMBL6014624 0.85 SIGMAR1 (0.51) ADH1BADH1CADH1AADH7MAPT
SCHEMBL29798082 0.80 ADH1B (0.65) ADH1BADH1CADH1AADH7MAPT
SCHEMBL8713797 0.80 ADH1B (0.65) ADH1BADH1CADH1AADH7MAPT
SCHEMBL855606 0.79 EPHX2 (0.49) ADH1BADH1CADH1AADH7MAPT
SCHEMBL6664295 0.79 MAOB (0.58) ADH1BADH1CADH1AADH7MAPT
SCHEMBL9500860 0.78 EPHX2 (0.55) ADH1BADH1CADH1AADH7MAPT

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 4 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
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 ADH1B 2458/4885ADH1C 2038/4885ADH1A 1433/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 ADH1B 2458/4885ADH1C 2038/4885ADH1A 1433/4885

“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.