SCHEMBL2814977

SCHEMBL2814977

C=C(C)c1cc(C(C)(C)C)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 1/20 0.41
POLB P06746 3/20 0.40
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 3/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HPGD P15428 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1264001 0.86 NPC1 (0.45) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL4572021 0.86 NPC1 (0.38) NPC1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL1264010 0.84 NPC1 (0.45) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL13370057 0.82 CNR1 (0.38) NPC1RAB9ALMNAPOLB
SCHEMBL9408718 0.82 NPC1 (0.48) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL9567799 0.81 NPC1 (0.50) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL7574172 0.81 NPC1 (0.50) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL108807 0.81 NPC1 (0.54) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL30893054 0.81 NPC1 (0.50) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL29813370 0.81 NPC1 (0.54) NPC1RAB9ALMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9404199-B2 Polyurethane elastic yarn and method for producing same INVISTA NORTH AMERICA S.A.R.L. (US) 2016-08-02 US disclosed
WO-2013034219-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2013-03-14 WO disclosed
EP-2557140-A2 Liquid-crystalline medium Merck Patent GmbH (DE) 2013-02-13 EP disclosed
US-20120296016-A1 POLYURETHANE ELASTIC YARN AND METHOD FOR PRODUCING SAME TORAY OPELONTEX CO., LTD. (JP) 2012-11-22 US disclosed
EP-2514860-A1 POLYURETHANE ELASTIC YARN AND METHOD FOR PRODUCING SAME Toray Opelontex Co., Ltd (JP) 2012-10-24 EP disclosed
EP-2222816-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-10-17 EP disclosed
WO-2012126562-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-09-27 WO disclosed
EP-2208773-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2012-08-29 EP disclosed
WO-2012097858-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2012-07-26 WO disclosed
US-20120182200-A1 COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND LIQUID-CRYSTALLINE MEDIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 US disclosed
WO-2009080261-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2009-07-02 WO disclosed
EP-2065361-A2 Polymerisable compounds Merck Patent GmbH (DE) 2009-06-03 EP disclosed
WO-2009033564-A2 ELECTRO-OPTICAL LIGHT CONTROL ELEMENT, ELECTRO-OPTICAL DISPLAY AND CONTROL MEDIUM MERCK PATENT GMBH (DE) 2009-03-19 WO disclosed
EP-1341871-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2008-10-29 EP disclosed
EP-1403356-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2008-09-17 EP disclosed
EP-1956069-A1 Liquid crystalline medium Merck Patent GmbH (DE) 2008-08-13 EP disclosed
EP-1935963-A1 Liquid-crystalline medium Merck Patent GmbH (DE) 2008-06-25 EP disclosed
EP-1932896-A1 Stilbene derivatives, liquid-crystal mixtures and electro-optical displays MERCK PATENT GmbH (DE) 2008-06-18 EP disclosed
EP-1447435-B1 1,4-Di-(trans-4-Cyclohexyl)benzene derivatives and their use in liquid crystal media and liquid crystal devices MERCK PATENT GMBH (DE) 2007-10-24 EP disclosed
WO-2007009636-A1 S-INDACENE AND INDENO[5,6-D][1,3]DIOXOL-DERIVATIVES AND USE THEREOF AS COMPONENTS OF LIQUID-CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2007-01-25 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 (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-20120182200-A1 COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND LIQUID-CRYSTALLINE MEDIA SFRP1, CRY1, MCM3 NPC1 4293/4885RAB9A 3712/4885LMNA 1098/4885

“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.