SCHEMBL292394

SCHEMBL292394

CCOC(=O)c1ccc(C(=O)OCC)c(Br)c1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
CA12 O43570 4/20 0.56
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA7 P43166 4/20 0.56
CA9 Q16790 4/20 0.56
CA14 Q9ULX7 4/20 0.56
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 3/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAOA P21397 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL27993119 0.92 TSHR (0.55) TSHRCA12CA1CA2CA7
SCHEMBL29092380 0.92 TSHR (0.55) TSHRCA12CA1CA2CA7
SCHEMBL9736115 0.92 TSHR (0.55) TSHRCA12CA1CA2CA7
SCHEMBL1760338 0.87 TSHR (0.53) TSHRCA12CA1CA2CA7
SCHEMBL7559624 0.86 MAPT (0.51) TSHRCA12CA1CA2CA7
SCHEMBL2903968 0.85 TSHR (0.52) TSHRCA12CA1CA2CA7
SCHEMBL6692090 0.85 TSHR (0.47) TSHRCA12CA1CA2CA7
SCHEMBL7514034 0.84 ALDH1A1 (0.51) TSHRCA12CA1CA2CA7
SCHEMBL22261518 0.84 TSHR (0.50) TSHRCA12CA1CA2CA7
SCHEMBL26123008 0.84 TSHR (0.50) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422287-B2 Bridged triarylamines and -phosphines as materials for electronic devices MERCK PATENT GMBH (DE) 2016-08-23 US disclosed
EP-2276723-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-01-27 EP disclosed
US-8932732-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-01-13 US disclosed
CN-102026958-B Compounds for electronic devices MERCK PATENT GMBH 2014-08-20 CN disclosed
CN-101460434-B Materials for organic electroluminescent devices MERCK PATENT GMBH 2014-07-02 CN disclosed
US-8766001-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2014-07-01 US disclosed
CN-102971319-A Bridged triarylamines and -phosphines as materials for electronic devices MERCK PATENT GMBH 2013-03-13 CN disclosed
US-20130026422-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-01-31 US disclosed
EP-2024310-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-14 EP disclosed
WO-2011128017-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-10-20 WO disclosed
US-20110092701-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-04-21 US disclosed
CN-102026958-A Compounds for electronic devices MERCK PATENT GMBH 2011-04-20 CN disclosed
EP-2276723-A1 COMPOUNDS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2011-01-26 EP disclosed
WO-2009141026-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH, (DE) 2009-11-26 WO disclosed
US-20090184313-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-23 US disclosed
CN-101460434-A Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2009-06-17 CN 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 (3 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-20090184313-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2A1, SLCO1A2 TSHR 4718/4885CA12 2227/4885CA1 3195/4885
US-20130026422-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES TEC, PNMT, TES TSHR 2922/4885CA12 3073/4885CA1 3654/4885
US-20110092701-A1 COMPOUNDS FOR ELECTRONIC DEVICES SLCO4C1, SLCO2A1, TOE1 TSHR 4686/4885CA12 3963/4885CA1 4202/4885

“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.