SCHEMBL6014395

SCHEMBL6014395

CC=CNCCCc1ccccc1CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SIGMAR1 Q99720 7/20 0.44
MPO P05164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL6615894 0.88 SIGMAR1 (0.53) KMT2AMEN1SIGMAR1L3MBTL1ATM
SCHEMBL6014354 0.88 SIGMAR1 (0.57) KMT2AMEN1SIGMAR1L3MBTL1CYP2D6
SCHEMBL13373174 0.82 TAAR1 (0.54) KMT2AMEN1SIGMAR1L3MBTL1CYP2D6
SCHEMBL27923108 0.73 HTR2A (0.54) SIGMAR1SMN1; SMN2
SCHEMBL55137 0.73 HTR1A (0.58) TAAR1SMN1; SMN2
SCHEMBL6546867 0.72 SIGMAR1 (0.50) SIGMAR1
SCHEMBL14159090 0.70 ADH1B (0.56) KMT2AMEN1SIGMAR1KDM4ESMN1; SMN2
SCHEMBL12605372 0.70 ADH1B (0.56) KMT2AMEN1SIGMAR1KDM4ESMN1; SMN2
SCHEMBL29588181 0.69 HTR2A (0.58) SIGMAR1L3MBTL1SMN1; SMN2
SCHEMBL28963713 0.69 HTR2A (0.58) SIGMAR1L3MBTL1SMN1; SMN2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KMT2A 1404/4885MEN1 2372/4885SIGMAR1 1287/4885

“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.