SCHEMBL13636804

SCHEMBL13636804

Cc1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C(C)(C)C)cc4)cc3)c3ccc(/C=C/c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
CYP1A2 P05177 1/20 0.46
NFE2L2 Q16236 5/20 0.44
HCRTR2 O43614 1/20 0.42
RELA Q04206 2/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 1/20 0.40
ALOX5 P09917 1/20 0.39
MEN1 O00255 2/20 0.38
APOBEC3A P31941 2/20 0.38
KMT2A Q03164 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL9604060 1.00 TSHR (0.56) TSHRPTGS1PTGS2CYP1A2NFE2L2
SCHEMBL13636796 1.00 TSHR (0.56) TSHRPTGS1PTGS2CYP1A2NFE2L2
SCHEMBL14424330 1.00 TSHR (0.56) TSHRPTGS1PTGS2CYP1A2NFE2L2
SCHEMBL13358765 0.95 TSHR (0.50) TSHRPTGS1PTGS2CYP1A2NFE2L2
SCHEMBL13358630 0.95 TSHR (0.50) TSHRPTGS1PTGS2CYP1A2NFE2L2
SCHEMBL17296938 0.93 RELA (0.49) TSHRPTGS1PTGS2CYP1A2NFE2L2
SCHEMBL13358252 0.93 TSHR (0.48) TSHRPTGS1PTGS2CYP1A2NFE2L2
SCHEMBL13358659 0.93 TSHR (0.48) TSHRPTGS1PTGS2CYP1A2NFE2L2
SCHEMBL13358344 0.93 TSHR (0.48) TSHRPTGS1PTGS2CYP1A2NFE2L2
SCHEMBL13636758 0.92 CYP1A2 (0.52) TSHRCYP1A2RELANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957603-B1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-14 EP disclosed
US-8785001-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
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-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-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
US-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 US disclosed
WO-2007065549-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-06-14 WO disclosed
WO-2007065547-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-06-14 WO 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 TSHR 4679/4885PTGS1 4105/4885PTGS2 3114/4885

“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.