SCHEMBL13367384

SCHEMBL13367384

Cc1cc(C)cc(N(C)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.41
GRIN2B Q13224 1/20 0.40
SCN9A Q15858 1/20 0.36
LTC4S Q16873 2/20 0.36
IDH1 O75874 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
PYCR1 P32322 1/20 0.34
PHGDH O43175 1/20 0.34
MAPT P10636 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
PTPN5 P54829 1/20 0.33
DHFR P00374 1/20 0.33

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
SCHEMBL26042969 0.86 TSHR (0.46) KIF11OPRM1OPRL1KDM4CPYCR1
SCHEMBL13367596 0.85 KIF11 (0.50) KIF11OPRM1OPRL1KDM4CPYCR1
SCHEMBL13367482 0.82 TSHR (0.48) KIF11KDM4CMAPT
SCHEMBL22453192 0.80 KIF11 (0.59) KIF11OPRM1OPRL1KDM4CPYCR1
SCHEMBL13367375 0.79 ALDH1A1 (0.52) MAPTDHFR
SCHEMBL13706370 0.78 ALDH1A1 (0.54) KIF11SCN9ALTC4SOPRM1OPRL1
SCHEMBL13338571 0.77 KIF11 (0.38) KIF11GRIN2B
SCHEMBL11163437 0.76 KIF11 (0.59) KIF11
SCHEMBL13509012 0.76 TSHR (0.42) RAPGEF4
SCHEMBL22453355 0.75 S100B (0.50) KIF11SCN9ALTC4S

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 KIF11 1027/4885GRIN2B 1550/4885SCN9A 2478/4885

“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.