SCHEMBL1667037

SCHEMBL1667037

O=C(CCCl)OCCCCCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.68
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
POLB P06746 1/20 0.59
APEX1 P27695 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PLA2G4B P0C869 7/20 0.59
RARB P10826 4/20 0.56
PKM P14618 1/20 0.54
PLA2G4A P47712 1/20 0.54
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL7646875 0.98 HTT (0.66) HTTTP53TSHRPOLBAPEX1
SCHEMBL15582454 0.96 RARB (0.63) HTTTP53TSHRPOLBAPEX1
SCHEMBL2203739 0.95 HTT (0.61) HTTTP53TSHRPOLBAPEX1
SCHEMBL4081685 0.88 HTT (0.52) HTTTP53TSHRPOLBAPEX1
SCHEMBL1798003 0.87 TP53 (0.72) HTTTP53TSHRPOLBAPEX1
SCHEMBL22507145 0.87 PKM (0.57) HTTTP53TSHRPOLBAPEX1
SCHEMBL7646498 0.86 HTT (0.50) HTTTP53TSHRPOLBAPEX1
SCHEMBL7401721 0.85 TP53 (0.69) HTTTP53TSHRPOLBAPEX1
SCHEMBL22614938 0.85 PLA2G4B (0.51) HTTTP53TSHRPOLBAPEX1
SCHEMBL7138415 0.85 TP53 (0.60) HTTTP53TSHRPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935512-B1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2018-12-26 EP disclosed
US-20180148648-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2018-05-31 US disclosed
US-20180148648-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2018-05-31 US disclosed
WO-2016184543-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2016-11-24 WO disclosed
US-20150323722-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-20150323722-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-20150323722-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
EP-2935512-A1 REACTIVE MESOGENS Merck Patent GmbH (DE) 2015-10-28 EP disclosed
WO-2014094949-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
WO-2014094949-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
US-8470198-B2 Mesogenic compounds comprising discotic and calamitic groups MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
US-8470198-B2 Mesogenic compounds comprising discotic and calamitic groups MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
US-8470198-B2 Mesogenic compounds comprising discotic and calamitic groups MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
EP-2313474-B1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GMBH (DE) 2012-09-05 EP disclosed
US-20110147659-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-23 US disclosed
US-20110147659-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-23 US disclosed
EP-2313474-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS Merck Patent GmbH (DE) 2011-04-27 EP disclosed
WO-2010020312-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GMBH (DE) 2010-02-25 WO disclosed
WO-2010020312-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GMBH (DE) 2010-02-25 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 (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-20180148648-A1 REACTIVE MESOGENS MAFG, LSG1, MAS1 HTT 130/4885TP53 1781/4885TSHR 892/4885
US-20150323722-A1 REACTIVE MESOGENS BLM, MAFG, MCRS1 HTT 184/4885TP53 2963/4885TSHR 1586/4885
US-20110147659-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS CALD1, DIAPH1, CALR HTT 656/4885TP53 4255/4885TSHR 4625/4885

“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.