SCHEMBL13338461

SCHEMBL13338461

CC(C)N(c1ccc2ccccc2c1)c1ccccc1-c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ALOX5 P09917 1/20 0.37
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.36
UGT2B7 P16662 1/20 0.36
CRHR1 P34998 1/20 0.35
PTPN1 P18031 1/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
PIM1 P11309 1/20 0.34
PER2 O15055 1/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
DNMT1 P26358 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL13338429 0.88 KDM4E (0.42) KDM4EHTR2CHTR6UGT2B7PER2
SCHEMBL13338423 0.85 AKR1C3 (0.42) KDM4EAKR1C3AKR1C2ALOX5HTR2C
SCHEMBL13338763 0.84 SIGMAR1 (0.40) KDM4EAKR1C3AKR1C2ALOX5HTR2C
SCHEMBL13338539 0.84 MAOA (0.38) KDM4EAKR1C3AKR1C2ALOX5CRHR1
SCHEMBL13338846 0.83 TUBB4A (0.43) ALOX5CRHR1PPARGPPARAL3MBTL1
SCHEMBL13338463 0.83 PPARG (0.46) KDM4EPPARGPPARAPIM1
SCHEMBL13338708 0.83 PPARG (0.40) KDM4EAKR1C3AKR1C2ALOX5PTPN1
SCHEMBL13338595 0.83 AKR1C3 (0.39) KDM4EAKR1C3AKR1C2ALOX5CRHR1
SCHEMBL13338460 0.82 PPARG (0.39) KDM4EAKR1C3AKR1C2HTR2CHTR6
SCHEMBL13338497 0.82 SIGMAR1 (0.43) KDM4EAKR1C3AKR1C2ALOX5PTPN1

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 KDM4E 2780/4885AKR1C3 1299/4885AKR1C2 1449/4885

“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.