SCHEMBL6014689

SCHEMBL6014689

CCCCNC/C=C/C(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
ASAH1 Q13510 1/20 0.40
ACER2 Q5QJU3 1/20 0.40
NAAA Q02083 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
TSHR P16473 3/20 0.39
CYP2C19 P33261 3/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPA1 O75762 3/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL6014693 1.00 ALDH1A1 (0.42) ALDH1A1POLBMAPTASAH1ACER2
SCHEMBL6014389 0.81 SIGMAR1 (0.41) ALDH1A1POLBMAPTSIGMAR1CYP1A2
SCHEMBL6014384 0.81 SIGMAR1 (0.41) ALDH1A1POLBMAPTSIGMAR1CYP1A2
SCHEMBL16167153 0.80 CYP1A2 (0.52) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL16167156 0.80 CYP1A2 (0.52) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL16167348 0.78 CYP1A2 (0.48) ALDH1A1POLBMAPTASAH1ACER2
SCHEMBL16167350 0.78 CYP1A2 (0.48) ALDH1A1POLBMAPTASAH1ACER2
SCHEMBL16167176 0.77 CYP1A2 (0.47) ALDH1A1POLBMAPTASAH1ACER2
SCHEMBL17764771 0.77 CYP1A2 (0.47) ALDH1A1POLBMAPTASAH1ACER2
SCHEMBL16167393 0.77 CYP1A2 (0.47) ALDH1A1POLBMAPTASAH1ACER2

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 ALDH1A1 37/4885POLB 2158/4885MAPT 2366/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 ALDH1A1 37/4885POLB 2158/4885MAPT 2366/4885

“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.