SCHEMBL6014495

SCHEMBL6014495

CCCCNC[CH]CCC(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
RIPK1 Q13546 1/20 0.39
CALM1 P0DP23 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TAAR1 Q96RJ0 3/20 0.37
AOC3 Q16853 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 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
SCHEMBL6014453 0.85 ALDH1A1 (0.41) POLBALDH1A1MAPTSIGMAR1KDM4E
SCHEMBL11922992 0.81 KCNH2 (0.49) POLBALDH1A1MAPTRIPK1CALM1
SCHEMBL8625674 0.78 GRIN1 (0.51) POLBALDH1A1MAPTRIPK1CALM1
SCHEMBL6014389 0.78 SIGMAR1 (0.41) POLBALDH1A1MAPTSIGMAR1TAAR1
SCHEMBL6014384 0.78 SIGMAR1 (0.41) POLBALDH1A1MAPTSIGMAR1TAAR1
SCHEMBL7791795 0.76 TAAR1 (0.53) POLBALDH1A1MAPTSIGMAR1KDM4E
SCHEMBL11567565 0.75 SIGMAR1 (0.53) ALDH1A1RIPK1SIGMAR1GRIN1GRIN2A
SCHEMBL6014693 0.74 ALDH1A1 (0.42) POLBALDH1A1MAPTSIGMAR1KDM4E
SCHEMBL6014689 0.74 ALDH1A1 (0.42) POLBALDH1A1MAPTSIGMAR1KDM4E
SCHEMBL190051 0.73 RIPK1 (0.55) POLBALDH1A1RIPK1SIGMAR1KDM4E

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