SCHEMBL680028

SCHEMBL680028

CC(C)(C)c1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccc(N(c4ccc(Br)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.45
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
HTR1D P28221 1/20 0.37
ADRA1A P35348 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
XDH P47989 1/20 0.37
LMNA P02545 2/20 0.37
TYR P14679 1/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GALR3 O60755 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
SCHEMBL22770719 1.00 KIF11 (0.45) KIF11ALDH1A1TSHRMAPK1HTR1D
SCHEMBL800957 0.94 TSHR (0.42) KIF11ALDH1A1TSHRMAPK1HTR1D
SCHEMBL4263451 0.94 TSHR (0.42) KIF11ALDH1A1TSHRMAPK1HTR1D
SCHEMBL9956810 0.94 TSHR (0.42) KIF11ALDH1A1TSHRMAPK1HTR1D
SCHEMBL27959121 0.93 ALDH1A1 (0.52) KIF11ALDH1A1MAPK1NPC1RAB9A
SCHEMBL14621050 0.93 TSHR (0.52) KIF11ALDH1A1TSHRMAPK1HTR1D
SCHEMBL27959115 0.93 ALDH1A1 (0.52) KIF11ALDH1A1MAPK1NPC1RAB9A
SCHEMBL13813673 0.91 KIF11 (0.39) KIF11ALDH1A1TSHRMAPK1HTR1D
SCHEMBL8642413 0.89 KIF11 (0.54) KIF11ALDH1A1TSHRHTR1DADRA1A
SCHEMBL12951069 0.89 KIF11 (0.54) KIF11ALDH1A1TSHRHTR1DADRA1A

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 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791275-B1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2017-05-31 EP disclosed
US-9644070-B2 Cross-linkable and cross-linked polymers, process for the preparation thereof, and the use thereof MERCK PATENT GMBH (DE) 2017-05-09 US disclosed
US-9644070-B2 Cross-linkable and cross-linked polymers, process for the preparation thereof, and the use thereof MERCK PATENT GMBH (DE) 2017-05-09 US disclosed
US-20170062725-A1 COMPOSITION AND METHOD FOR PREPARATION OF ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-03-02 US disclosed
US-20170062725-A1 COMPOSITION AND METHOD FOR PREPARATION OF ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-03-02 US disclosed
EP-1831326-B1 ELECTROLUMINESCENT POLYMERS AND THEIR USE MERCK PATENT GMBH (DE) 2017-03-01 EP disclosed
EP-1763566-B1 ELECTROLUMINESCENT POLYMERS MERCK PATENT GMBH (DE) 2016-10-26 EP disclosed
US-20160264720-A1 METHOD FOR THE PRODUCTION OF POLYMERS MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-20160264720-A1 METHOD FOR THE PRODUCTION OF POLYMERS MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-9415370-B2 Method for the production of polymers MERCK PATENT GMBH (DE) 2016-08-16 US disclosed
US-20040260090-A1 Process for producing aryl-aryl coupled compounds MERCK PATENT GMBH (DE) 2004-12-23 US disclosed
EP-1458783-A2 PROCESS FOR PRODUCING ARYL-ARYL COUPLED COMPOUNDS Covion Organic Semiconductors GmbH (DE) 2004-09-22 EP disclosed
EP-1381639-B1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS (DE) 2004-09-08 EP disclosed
US-20040135131-A1 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2004-07-15 US disclosed
EP-1427768-A2 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF Covion Organic Semiconductors GmbH (DE) 2004-06-16 EP disclosed
WO-2004022626-A1 METHOD FOR THE PRODUCTION OF ARYL-ARYL COUPLED COMPOUNDS COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2004-03-18 WO disclosed
EP-1381639-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF Covion Organic Semiconductors GmbH (DE) 2004-01-21 EP disclosed
WO-2003048225-A2 PROCESS FOR PRODUCING ARYL-ARYL COUPLED COMPOUNDS COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2003-06-12 WO disclosed
WO-2003020790-A2 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2003-03-13 WO disclosed
WO-2002077060-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2002-10-03 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-20040260090-A1 Process for producing aryl-aryl coupled compounds AHR, TYR, ARNT KIF11 3139/4885ALDH1A1 1246/4885TSHR 2022/4885

“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.