SCHEMBL13367365

SCHEMBL13367365

CN(c1ccc2ccccc2c1)c1ccccc1-c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
SIGMAR1 Q99720 5/20 0.40
DHFR P00374 1/20 0.39
PIM1 P11309 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL12258277 0.87 DHFR (0.49) MCL1SIGMAR1DHFRHTTNPSR1
SCHEMBL13367483 0.83 SIGMAR1 (0.41) SIGMAR1DHFRHTR1AHTR7KDM4E
SCHEMBL13367492 0.81 SIGMAR1 (0.40) SIGMAR1DHFRHTR1AHTR7KDM4E
SCHEMBL27380432 0.81 SLC6A9 (0.42) MCL1SIGMAR1DHFRL3MBTL1KDM4E
SCHEMBL13826295 0.81 PSMB5 (0.41) SIGMAR1HTTNPSR1L3MBTL1KDM4E
SCHEMBL13338461 0.81 KDM4E (0.39) SIGMAR1PIM1HTTNPSR1L3MBTL1
SCHEMBL13432405 0.79 PDK2 (0.40) MCL1SIGMAR1DHFRHTR1AHTR7
SCHEMBL13367489 0.79 SIGMAR1 (0.45) SIGMAR1DHFRHTR1AHTR7
SCHEMBL19735310 0.79 ALDH1A1 (0.39) MCL1SIGMAR1KDM4E
SCHEMBL20516077 0.79 MCL1 (0.53) MCL1SIGMAR1DHFRHTTNPSR1

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 MCL1 2865/4885SIGMAR1 699/4885DHFR 2406/4885

“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.