SCHEMBL6014691

SCHEMBL6014691

CCCCC(C)c1ccccc1.CCCCC=CN

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
CYP1A2 P05177 9/20 0.41
CYP2C9 P11712 8/20 0.41
TSHR P16473 8/20 0.41
CYP2C19 P33261 8/20 0.41
CYP3A4 P08684 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
RIPK1 Q13546 1/20 0.41
CYP2D6 P10635 4/20 0.40
POLB P06746 1/20 0.39
TRPA1 O75762 1/20 0.39
AOC3 Q16853 2/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL6014489 0.83 TAAR1 (0.50) TAAR1RIPK1TRPA1AOC3
SCHEMBL6014494 0.83 TAAR1 (0.50) TAAR1RIPK1TRPA1AOC3
SCHEMBL190051 0.83 RIPK1 (0.55) TAAR1ALDH1A1RIPK1POLBTRPA1
Hydrogen Peroxide SCHEMBL2352490 0.81 RIPK1 (0.53) TAAR1ALDH1A1RIPK1POLBTRPA1
Ammonia Solution, Strong SCHEMBL6014509 0.81 RIPK1 (0.53) TAAR1ALDH1A1RIPK1POLBTRPA1
Iodide SCHEMBL8983493 0.81 RIPK1 (0.53) TAAR1ALDH1A1RIPK1POLBTRPA1
Butylamine SCHEMBL6014499 0.78 TAAR1 (0.53) TAAR1ALDH1A1RIPK1POLBTRPA1
SCHEMBL598533 0.77 RIPK1 (0.53) TAAR1RIPK1POLBTRPA1AOC3
SCHEMBL6014411 0.77 CYP1A2 (0.46) TAAR1CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL6014408 0.77 CYP1A2 (0.46) TAAR1CYP1A2CYP2C9TSHRCYP2C19

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 TAAR1 2085/4885CYP1A2 32/4885CYP2C9 191/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TAAR1 2085/4885CYP1A2 32/4885CYP2C9 191/4885

“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.