SCHEMBL6014408

SCHEMBL6014408

CCCC/C=C/N/C=C/CCC(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.46
CYP2C9 P11712 9/20 0.46
CYP2C19 P33261 9/20 0.46
TSHR P16473 9/20 0.46
CYP3A4 P08684 9/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP2D6 P10635 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RIPK1 Q13546 1/20 0.40
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
TAAR1 Q96RJ0 3/20 0.38
AOC3 Q16853 1/20 0.38
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6014411 1.00 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL6014688 0.81 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL6014670 0.78 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL6014671 0.78 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL6014691 0.77 TAAR1 (0.42) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL190051 0.74 RIPK1 (0.55) ALDH1A1KDM4ERIPK1POLBTAAR1
SCHEMBL16167156 0.74 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL16167153 0.74 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL5855859 0.73 RIPK1 (0.50) RIPK1TAAR1AOC3
SCHEMBL5855864 0.73 RIPK1 (0.50) RIPK1TAAR1AOC3

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 CYP1A2 32/4885CYP2C9 191/4885CYP2C19 150/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 CYP1A2 32/4885CYP2C9 191/4885CYP2C19 150/4885

“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.