SCHEMBL2764142

SCHEMBL2764142

CCCCC(CC)COc1cc(C=Cc2cc(OC)c(Br)cc2OC)c(OC)cc1C=Cc1cc(OC)c(Br)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
HTR2A P28223 5/20 0.37
PTPN1 P18031 4/20 0.36
TAAR1 Q96RJ0 2/20 0.36
PRKDC P78527 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
CA2 P00918 1/20 0.33
TNFRSF1A P19438 1/20 0.33

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
SCHEMBL680571 1.00 TDP1 (0.37) TDP1HTR2APTPN1TAAR1PRKDC
SCHEMBL7645902 0.88 HTR2A (0.43) TDP1HTR2ATAAR1ALDH1A1MAPK1
SCHEMBL4582176 0.87 TNFRSF1A (0.32) TDP1HTR2APTPN1TAAR1PRKDC
SCHEMBL2804053 0.83 TDP1 (0.46) TDP1ALDH1A1MAPK1CA2
SCHEMBL2053675 0.82 CYP3A4 (0.43) TDP1ALDH1A1MAPK1CA2
SCHEMBL2037739 0.82 LMNA (0.46) TDP1PRKDCALDH1A1MAPK1CA2
SCHEMBL7475244 0.82 ALDH1A1 (0.47) TDP1PRKDCALDH1A1MAPK1CA2
SCHEMBL6846661 0.81 APP (0.50) TDP1MAPK1
SCHEMBL17776459 0.81 TDP1 (0.37) TDP1PTPN1ALDH1A1MAPK1CA2
SCHEMBL28083440 0.79 CYP3A4 (0.43) TDP1ALDH1A1MAPK1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915788-B1 SOLVENT MIXTURES FOR ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2010-12-15 EP disclosed
US-7723455-B2 Conjugated polymers containing dihydrophenanthrene units and use thereof MERCK PATENT GMBH (DE) 2010-05-25 US disclosed
EP-1656408-B1 CONJUGATED POLYMERS CONTAINING DIHYDROPHENANTHRENE UNITS AND USE THEREOF MERCK PATENT GMBH (DE) 2010-04-14 EP disclosed
US-7638594-B2 Conjugated polymers containing spirobifluorene units and the use thereof MERCK PATENT GMBH (DE) 2009-12-29 US disclosed
EP-1915788-A1 SOLVENT MIXTURE FOR ORGANIC SEMICONDUCTORS Merck Patent GmbH (DE) 2008-04-30 EP disclosed
US-7323533-B2 Conjugated polymers containing spirobifluorene units and the use thereof COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2008-01-29 US disclosed
US-20070265473-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2007-11-15 US disclosed
US-20070060736-A1 Conjugated polymers containing dihydrophenanthrene units and use thereof MERCK PATENT GMBH (DE) 2007-03-15 US disclosed
WO-2007019944-A1 SOLVENT MIXTURE FOR ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2007-02-22 WO disclosed
EP-1427768-B1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF MERCK PATENT GMBH (DE) 2007-01-24 EP disclosed
EP-1656408-A2 CONJUGATED POLYMERS CONTAINING DIHYDROPHENANTHRENE UNITS AND USE THEREOF Covion Organic Semiconductors GmbH (DE) 2006-05-17 EP disclosed
US-20050038223-A1 Conjugated polymers containing spirobifluorene units and the use thereof MERCK PATENT GMBH (DE) 2005-02-17 US disclosed
WO-2005014689-A2 CONJUGATED POLYMERS CONTAINING DIHYDROPHENANTHRENE UNITS AND USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2005-02-17 WO disclosed
EP-1427768-A2 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF Covion Organic Semiconductors GmbH (DE) 2004-06-16 EP disclosed
WO-2003020790-A2 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2003-03-13 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-20070265473-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF ALDH1A2, SELE, PPOX TDP1 3961/4885HTR2A 4207/4885PTPN1 1148/4885

“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.