SCHEMBL13636797

SCHEMBL13636797

CC(C)(C)c1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C(C)(C)C)cc4)cc3)c3ccc(/C=C/c4ccc([Si](C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HBB P68871 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
AMY1A P0DUB6 1/20 0.35
PKM P14618 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
SCHEMBL13636801 1.00 CYP1A2 (0.42) CYP1A2NR1H2NR1H3NPC1RAB9A
SCHEMBL21740548 0.89 NR1H2 (0.44) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL12887521 0.88 CYP1A2 (0.52) CYP1A2NR1H2NR1H3NPC1RAB9A
SCHEMBL9604058 0.88 MAPT (0.44) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL15681222 0.88 CYP1A2 (0.52) CYP1A2NR1H2NR1H3NPC1RAB9A
SCHEMBL13636758 0.88 CYP1A2 (0.52) CYP1A2NR1H2NR1H3NPC1RAB9A
SCHEMBL15223071 0.85 KIF11 (0.54) CYP1A2LMNAALDH1A1KDM4E
SCHEMBL13636795 0.83 AHR (0.47) CYP1A2TRPV1
SCHEMBL12128483 0.82 MAPT (0.40) CYP1A2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13358460 0.82 CYP1A2 (0.47) CYP1A2NR1H2NR1H3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785001-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
US-8304095-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-11-06 US disclosed
US-20080297037-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-04 US disclosed
US-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 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-20080272693-A1 Organic Electroluminescent Devices EML4, MT-ND4L, EPCAM CYP1A2 2971/4885NR1H2 2536/4885NR1H3 2310/4885

“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.