SCHEMBL13338707

SCHEMBL13338707

CC(C)N(c1ccc(-c2ccccc2)cc1)c1nccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
CYP2A6 P11509 1/20 0.40
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 2/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S100A4 P26447 1/20 0.38
CNR2 P34972 1/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2C19 P33261 4/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 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
SCHEMBL13338407 0.91 CYP2A6 (0.44) LMNACYP2A6KDM4ENPC1RAB9A
SCHEMBL31098968 0.91 CYP2A6 (0.44) LMNACYP2A6KDM4ENPC1RAB9A
SCHEMBL13338522 0.87 CYP2A6 (0.45) LMNACYP2A6KDM4ENPC1RAB9A
SCHEMBL13338384 0.85 CYP2A6 (0.50) LMNACYP2A6NPC1RAB9AMAPT
SCHEMBL13338565 0.83 CYP3A4 (0.40) LMNACYP2A6KCNH2KDM4ES100A4
SCHEMBL13338828 0.83 EGFR (0.47) CYP2A6KCNH2RAB9AS100A4CASP1
SCHEMBL13338449 0.83 KDM4E (0.41) LMNACYP2A6KDM4EL3MBTL1NPSR1
SCHEMBL13367494 0.81 PDE5A (0.48) LMNACYP2A6KCNH2KDM4ENPC1
SCHEMBL13338587 0.80 CYP2A6 (0.44) LMNACYP2A6NPC1RAB9AKMT2A
SCHEMBL13338757 0.78 CYP2A6 (0.41) LMNACYP2A6NPC1RAB9AKMT2A

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 LMNA 4085/4885CYP2A6 2286/4885KCNH2 383/4885

“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.