SCHEMBL12781908

SCHEMBL12781908

CC1(C)c2cc(-c3ccc(Br)c4ccccc34)ccc2-c2ccc(-c3ccc(Br)c4ccccc34)cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.35
RXFP1 Q9HBX9 1/20 0.33
CYP1A2 P05177 1/20 0.33
PKM P14618 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
RXRA P19793 1/20 0.31
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL16231491 0.95 PDK2 (0.38) PDK2CYP1A2
SCHEMBL12781884 0.94 PDK2 (0.38) PDK2RXFP1
SCHEMBL12785881 0.91 PDK2 (0.31) PDK2
SCHEMBL12785897 0.85 PDK2 (0.32) PDK2
SCHEMBL2965134 0.84 PDK2 (0.44) PDK2
SCHEMBL12442306 0.82 PDK2 (0.36) PDK2
SCHEMBL22256070 0.81 CYP1A2 (0.35) PDK2CYP1A2CYP1B1
SCHEMBL25791417 0.81 RARB (0.51) RARBRARGRXRA
SCHEMBL14508322 0.81 ALDH1A1 (0.45) PDK2
SCHEMBL28963933 0.80 CYP1A2 (0.34) PDK2CYP1A2

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-20110054229-A1 LUMINESCENT COMPOUNDS AND ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2011-03-03 US disclosed
US-20110054229-A1 LUMINESCENT COMPOUNDS AND ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2011-03-03 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-20110054229-A1 LUMINESCENT COMPOUNDS AND ELECTROLUMINESCENT DEVICE USING THE SAME OCIAD2, OCIAD1, ORMDL3 PDK2 2238/4885RXFP1 4376/4885CYP1A2 434/4885

“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.