SCHEMBL2168286

SCHEMBL2168286

COc1ccc(-c2cc3ccc(CCCO)cc3oc2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
RXFP1 Q9HBX9 2/20 0.66
MIF P14174 2/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
SIRT3 Q9NTG7 1/20 0.66
ERAP1 Q9NZ08 1/20 0.66
ACHE P22303 3/20 0.58
MAOB P27338 5/20 0.57
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
CASP1 P29466 1/20 0.52

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
SCHEMBL20171778 0.89 NPC1 (0.61) NPC1RAB9ARXFP1MIFMEN1
SCHEMBL18558980 0.87 NPC1 (0.61) NPC1RAB9ARXFP1MIFMEN1
SCHEMBL18773627 0.85 NPC1 (0.57) NPC1RAB9ARXFP1MIFMEN1
SCHEMBL2166891 0.85 ESR2 (0.68) NPC1RAB9ARXFP1MIFMEN1
SCHEMBL19624008 0.85 NPC1 (0.56) NPC1RAB9ARXFP1MIFMEN1
SCHEMBL18869362 0.85 NPC1 (0.56) NPC1RAB9ARXFP1MIFMEN1
SCHEMBL20428186 0.85 NPC1 (0.56) NPC1RAB9ARXFP1MIFMEN1
SCHEMBL20172076 0.85 RXFP1 (0.59) NPC1RAB9ARXFP1MIFMEN1
SCHEMBL21589213 0.84 NPC1 (0.55) NPC1RAB9ARXFP1MIFMEN1
SCHEMBL18473063 0.84 NPC1 (0.55) NPC1RAB9ARXFP1MIFMEN1

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 NPC1 4181/4885RAB9A 2121/4885RXFP1 3551/4885

“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.