SCHEMBL12760433

SCHEMBL12760433

CCCc1cnc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)nc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL15945335 0.93 RARB (0.35) NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL15945337 0.92 NPC1 (0.33) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL15785199 0.90 ALOX5AP (0.35) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL12357782 0.89 ALOX5AP (0.37) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL19829143 0.89 NPC1 (0.31) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL12357209 0.88 ALOX5AP (0.41) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL12357793 0.88 ALOX5AP (0.34) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL15317560 0.88 NPC1 (0.32) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL12760426 0.87 NPC1 (0.36) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL12357528 0.87 ALOX5AP (0.39) NPC1TP53PKMRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822305-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2017-11-21 — — US disclosed
US-9809749-B2 Mesogenic compound, liquid-crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2017-11-07 — — US disclosed
EP-2986688-B1 MESOGENIC COMPOUND, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-04-19 — — EP disclosed
US-20160326436-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-11-10 — — US disclosed
US-9475990-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2016-10-25 — — US disclosed
EP-2904068-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-10-12 — — EP disclosed
EP-2302015-B1 OPTICALLY ISOTROPIC LIQUID CRYSTALLINE MEDIUM, AND OPTICAL ELEMENT JNC CORP (JP) 2016-10-05 — — EP disclosed
US-20160115388-A1 MESOGENIC COMPOUND, LIQUID-CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-04-28 — — US disclosed
US-20150247089-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-09-03 — — US disclosed
US-9120969-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2015-09-01 — — US disclosed
US-20140158934-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-06-12 — — US disclosed
US-20140077130-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-03-20 — — US disclosed
US-8659737-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2014-02-25 — — US disclosed
US-8475887-B2 Optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-07-02 — — US disclosed
US-8475887-B2 Optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-07-02 — — US disclosed
EP-2568032-A2 Liquid crystal medium and liquid crystal display Merck Patent GmbH (DE) 2013-03-13 — — EP disclosed
WO-2013017197-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2013-02-07 — — WO disclosed
EP-2302015-A1 OPTICALLY ISOTROPIC LIQUID CRYSTALLINE MEDIUM, AND OPTICAL ELEMENT Chisso Corporation (JP) 2011-03-30 — — EP disclosed
US-20110069245-A1 OPTICALLY ISOTROPIC LIQUID CRYSTALLINE MEDIUM, AND OPTICAL ELEMENT CHISSO PETROCHEMICAL CORPORATION (JP) 2011-03-24 — — US disclosed
US-20110069245-A1 OPTICALLY ISOTROPIC LIQUID CRYSTALLINE MEDIUM, AND OPTICAL ELEMENT CHISSO PETROCHEMICAL CORPORATION (JP) 2011-03-24 — — US 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-20160115388-A1 MESOGENIC COMPOUND, LIQUID-CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY BMP2, IK, EML4 NPC1 3650/4885TP53 3811/4885PKM 1387/4885

“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.

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