SCHEMBL13658982

SCHEMBL13658982

OC1(c2ccc3ccccc3c2)c2ccc(Cl)cc2C(O)(c2ccc3ccccc3c2)c2cc(Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.52
KDM1A O60341 2/20 0.41
RCOR1 Q9UKL0 2/20 0.41
OPRL1 P41146 1/20 0.41
SLC6A3 Q01959 6/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A2 P23975 4/20 0.39
DHFR P00374 1/20 0.37
TYMS P04818 1/20 0.37
PDK2 Q15119 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MAP3K14 Q99558 1/20 0.36

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
SCHEMBL824169 0.98 CYP2A6 (0.50) CYP2A6KDM1ARCOR1OPRL1SLC6A3
SCHEMBL14156408 0.84 SLC6A4 (0.44) SLC6A3SLC6A4SLC6A2
SCHEMBL26208919 0.82 SLC6A4 (0.43) SLC6A3SLC6A4SLC6A2
SCHEMBL761315 0.80 CYP2A6 (0.52) CYP2A6KDM1ARCOR1SLC6A3SLC6A4
SCHEMBL824170 0.79 MAP3K14 (0.46) CYP2A6PDK2MAP3K14
SCHEMBL12877797 0.79 CYP2A6 (0.50) CYP2A6KDM1ARCOR1SLC6A3SLC6A4
SCHEMBL3248838 0.79 CYP2A6 (0.50) CYP2A6KDM1ARCOR1SLC6A3SLC6A4
SCHEMBL2496770 0.78 POLB (0.49) CYP2A6LMNAMAPT
SCHEMBL3973547 0.78 POLB (0.49) CYP2A6KDM1ARCOR1DHFRTYMS
SCHEMBL12164924 0.77 CYP2A6 (0.41) CYP2A6KDM1ARCOR1OPRL1SLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090256468-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-15 US disclosed
US-20090256468-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-15 US disclosed
EP-2096108-A1 Novel organic electroluminescent compounds and organic electroluminscent device using the same Gracel Display Inc. (KR) 2009-09-02 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-20090256468-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD1, OCIAD2 CYP2A6 1875/4885KDM1A 2854/4885RCOR1 1753/4885

“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.