SCHEMBL2166891

SCHEMBL2166891

O=c1oc2cc(CCCO)ccc2cc1-c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.68
NPC1 O15118 4/20 0.58
RAB9A P51151 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ESR1 P03372 1/20 0.58
GAPDH P04406 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MIF P14174 9/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 2/20 0.58
GLA P06280 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
POLB P06746 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PTGS1 P23219 1/20 0.55
ERAP1 Q9NZ08 2/20 0.54

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
SCHEMBL2168286 0.85 NPC1 (0.66) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL2166723 0.81 ESR2 (1.00) ESR2NPC1RAB9AALDH1A1HPGD
SCHEMBL18523587 0.81 ESR2 (0.67) ESR2NPC1RAB9AALDH1A1HPGD
SCHEMBL25853393 0.80 ESR2 (0.65) ESR2NPC1RAB9AALDH1A1HPGD
SCHEMBL23316808 0.78 ESR2 (0.76) ESR2NPC1RAB9AALDH1A1HPGD
SCHEMBL15068480 0.78 MIF (0.46) ESR2NPC1RAB9AALDH1A1HPGD
SCHEMBL15066651 0.78 AKR1B10 (0.41) ESR2NPC1L3MBTL1MIFPOLB
SCHEMBL11297212 0.77 ADORA3 (0.51) ESR2NPC1RAB9AALDH1A1HPGD
SCHEMBL16520509 0.76 MIF (0.83) ESR2NPC1RAB9AALDH1A1HPGD
SCHEMBL802632 0.75 ESR2 (0.56) ESR2NPC1RAB9AALDH1A1HPGD

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
CN-102197109-B Liquid crystal display MERCK PATENT GMBH 2014-05-14 CN disclosed
US-8592007-B2 Liquid-crystal display MERCK PATENT GMBH (DE) 2013-11-26 US disclosed
EP-2340292-B1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2013-05-29 EP disclosed
EP-2340292-B1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2013-05-29 EP disclosed
CN-102197109-A Liquid crystal display MERCK PATENT GMBH 2011-09-21 CN disclosed
US-20110205482-A1 LIQUID-CRYSTAL DISPLAY MERCH PATENT GESELLSCHAFT MIT BESCHRANKTE HAFTUNG (DE) 2011-08-25 US disclosed
US-20110205482-A1 LIQUID-CRYSTAL DISPLAY MERCH PATENT GESELLSCHAFT MIT BESCHRANKTE HAFTUNG (DE) 2011-08-25 US disclosed
US-20110205482-A1 LIQUID-CRYSTAL DISPLAY MERCH PATENT GESELLSCHAFT MIT BESCHRANKTE HAFTUNG (DE) 2011-08-25 US disclosed
EP-2340292-A1 LIQUID CRYSTAL DISPLAY Merck Patent GmbH (DE) 2011-07-06 EP disclosed
WO-2010049044-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2010-05-06 WO disclosed
WO-2010049044-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2010-05-06 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-20110205482-A1 LIQUID-CRYSTAL DISPLAY VCL, LPXN, LCP1 ESR2 2890/4885NPC1 4181/4885RAB9A 2121/4885

“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.