SCHEMBL6014481

SCHEMBL6014481

CNC(C)Cc1cc2c(cc1O)OCO2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.58
CYP2D6 P10635 2/20 0.58
SLC6A2 P23975 2/20 0.58
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 2/20 0.58
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 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
SCHEMBL5480610 0.81 TAAR1 (0.59) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL29543960 0.81 TAAR1 (0.59) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL27040868 0.81 TAAR1 (0.59) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL31544886 0.79 TAAR1 (0.56) TAAR1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL34464659 0.78 ALOX15 (0.44) TAAR1CYP2D6MAPTCYP3A4CYP2C9
SCHEMBL19815978 0.78 ALOX15 (0.44) TAAR1CYP2D6MAPTCYP3A4CYP2C9
SCHEMBL29633067 0.78 CYP2D6 (0.55) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5467647 0.78 CYP2D6 (0.55) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL14284021 0.76 CYP3A4 (0.46) CYP2D6GAAMAPTCYP1A2CYP3A4
SCHEMBL24163682 0.75 CYP2D6 (0.52) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3

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 TAAR1 2085/4885CYP2D6 33/4885SLC6A2 4433/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TAAR1 2085/4885CYP2D6 33/4885SLC6A2 4433/4885

“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.