SCHEMBL6014384

SCHEMBL6014384

CCCCNC/C=C/CC(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 3/20 0.40
CYP2D6 P10635 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM1A O60341 5/20 0.38
TAAR1 Q96RJ0 3/20 0.38
AOC3 Q16853 1/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37

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
SCHEMBL6014389 1.00 SIGMAR1 (0.41) SIGMAR1ALDH1A1POLBMAPTCYP1A2
SCHEMBL6014453 0.86 ALDH1A1 (0.41) SIGMAR1ALDH1A1POLBMAPTLMNA
SCHEMBL6014693 0.81 ALDH1A1 (0.42) SIGMAR1ALDH1A1POLBMAPTCYP1A2
SCHEMBL6014689 0.81 ALDH1A1 (0.42) SIGMAR1ALDH1A1POLBMAPTCYP1A2
SCHEMBL6014495 0.78 POLB (0.39) SIGMAR1ALDH1A1POLBMAPTCYP1A2
SCHEMBL7791795 0.77 TAAR1 (0.53) SIGMAR1ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL11922992 0.76 KCNH2 (0.49) SIGMAR1ALDH1A1POLBMAPTCYP1A2
SCHEMBL10644871 0.75 TAAR1 (0.48) LMNATAAR1AOC3
SCHEMBL10644867 0.75 TAAR1 (0.48) LMNATAAR1AOC3
SCHEMBL8625674 0.73 GRIN1 (0.51) SIGMAR1ALDH1A1POLBMAPTKDM1A

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 SIGMAR1 1287/4885ALDH1A1 37/4885POLB 2158/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 SIGMAR1 1287/4885ALDH1A1 37/4885POLB 2158/4885

“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.