SCHEMBL13367463

SCHEMBL13367463

CN(c1ccc(C(F)(F)F)cc1)c1cc2ccccc2c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
KIF11 P52732 5/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
SCN9A Q15858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
DHFR P00374 2/20 0.34
LTC4S Q16873 1/20 0.34
GAK O14976 1/20 0.33
RIPK2 O43353 1/20 0.33
STK16 O75716 1/20 0.33
EGFR P00533 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL12048720 0.82 TRPM4 (0.41) TSHRLMNAMAPTHPGDALOX15
SCHEMBL13338635 0.81 HRH4 (0.36) KDM1AKIF11OPRM1KEAP1NFE2L2
SCHEMBL12258281 0.81 CYP1A2 (0.40) TSHRLMNAMAPTHPGDALOX15
SCHEMBL13367600 0.80 SLC6A2 (0.40) TSHRLMNAMAPTHPGDALOX15
SCHEMBL18799896 0.80 CES2 (0.38) TSHRLMNAMAPTHPGDALOX15
SCHEMBL12047734 0.80 MAPT (0.38) TSHRLMNAMAPTHPGDALOX15
SCHEMBL13367459 0.80 GPR84 (0.41) KDM1ATSHRLMNAMAPTHPGD
SCHEMBL30367177 0.77 CYP1A2 (0.47) KDM1ADHFRLTC4SEGFR
SCHEMBL12048243 0.77 CYP1A2 (0.37) TSHRLMNAMAPTHPGDALOX15
SCHEMBL24327740 0.76 ESR1 (0.42) TSHRLMNAMAPTHPGDALOX15

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 KDM1A 2318/4885KIF11 1027/4885OPRM1 9/4885

“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.