SCHEMBL13338595

SCHEMBL13338595

Cc1cc(C)cc(N(c2ccccc2-c2cccc3ccccc23)C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALOX5 P09917 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CRHR1 P34998 1/20 0.35
PTPN1 P18031 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL13338763 0.90 SIGMAR1 (0.40) AKR1C3AKR1C2MAOAMAOBALOX5
SCHEMBL13338476 0.88 SIGMAR1 (0.41) SIGMAR1CYP1A2CYP2A6NPC1RAB9A
SCHEMBL13338539 0.87 MAOA (0.38) AKR1C3AKR1C2MAOAMAOBALOX5
SCHEMBL13338423 0.85 AKR1C3 (0.42) AKR1C3AKR1C2ALOX5PTPN1SIGMAR1
SCHEMBL13338461 0.83 KDM4E (0.39) AKR1C3AKR1C2ALOX5CRHR1PTPN1
SCHEMBL13338600 0.82 PPARG (0.42) AKR1C3AKR1C2CA12CA1CA2
SCHEMBL13338497 0.82 SIGMAR1 (0.43) AKR1C3AKR1C2ALOX5PTPN1SIGMAR1
SCHEMBL13367492 0.81 SIGMAR1 (0.40) MAOAMAOBCA12CA1CA2
SCHEMBL13338597 0.81 CHRNA1 (0.38) AKR1C3AKR1C2MAOAMAOBCA12
SCHEMBL13338708 0.80 PPARG (0.40) AKR1C3AKR1C2ALOX5CA12CA1

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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 US disclosed
EP-2175005-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-04-14 EP 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 AKR1C3 1299/4885AKR1C2 1449/4885MAOA 1402/4885

“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.