SCHEMBL14974134

SCHEMBL14974134

C=CC(=O)OC(CCCCCC)CCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCC(CCCCCC)OC(=O)C=C)cc3)c(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
LMNA P02545 3/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
PLA2G4B P0C869 2/20 0.41
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
RARB P10826 3/20 0.39

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
SCHEMBL30004969 1.00 NPC1 (0.46) NPC1LMNANFKB1NFKB2RELA
SCHEMBL17709490 1.00 NPC1 (0.46) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14916545 0.98 NPC1 (0.43) NPC1LMNANFKB1NFKB2RELA
SCHEMBL18568355 0.94 MAPT (0.40) NPC1LMNANFKB1NFKB2RELA
SCHEMBL18150187 0.93 NPC1 (0.47) NPC1LMNANFKB1NFKB2RELA
SCHEMBL30004023 0.93 NPC1 (0.47) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13865616 0.90 MAPT (0.36) NPC1LMNANFKB1NFKB2RELA
SCHEMBL28090966 0.90 TDP1 (0.45) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13865593 0.90 NPC1 (0.44) NPC1LMNANFKB1NFKB2RELA
SCHEMBL30726798 0.90 KMT2A (0.41) NPC1LMNANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190316036-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC CORPORATION (JP) 2019-10-17 US disclosed
US-10308870-B2 Liquid crystal medium, optical device and liquid crystal compound JNC CORPORATION (JP) 2019-06-04 US disclosed
CN-104379700-B Liquid-crystal composition and application thereof, optical element, macromolecule and liquid crystal composite material, mixture and compound 捷恩智株式会社 2018-12-28 CN disclosed
EP-2933310-B1 OCTAHYDRO BINAPHTHYL-BASED CHIRAL COMPOUND-CONTAINING LIQUID-CRYSTAL COMPOSITION AND OPTICAL ELEMENT JNC CORP (JP) 2018-06-20 EP disclosed
US-9738831-B2 Optically isotropic liquid crystal composition and optical device JNC CORPORATION (JP) 2017-08-22 US disclosed
US-9611429-B2 Liquid crystal medium, optical device and liquid crystal compound JNC CORPORATION (JP) 2017-04-04 US disclosed
US-9593094-B2 Liquid crystal medium, optical device, and liquid crystal compound JNC CORPORATION (JP) 2017-03-14 US disclosed
US-20160304784-A1 LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND JNC CORPORATION (JP) 2016-10-20 US disclosed
US-9458125-B2 Octahydro binaphthyl-based chiral compound-containing liquid-crystal composition and optical element JNC CORPORATION (JP) 2016-10-04 US disclosed
EP-2787058-B1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC CORP (JP) 2016-07-27 EP disclosed
EP-2933310-A1 OCTAHYDRO BINAPHTHYL-BASED CHIRAL COMPOUND-CONTAINING LIQUID-CRYSTAL COMPOSITION AND OPTICAL ELEMENT JNC Corporation (JP) 2015-10-21 EP disclosed
US-20150291548-A1 OCTAHYDRO BINAPHTHYL-BASED CHIRAL COMPOUND-CONTAINING LIQUID-CRYSTAL COMPOSITION AND OPTICAL ELEMENT JNC PETROCHEMICAL CORPORATION (JP) 2015-10-15 US disclosed
US-20150240159-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL COMPOSITION AND OPTICAL DEVICE JNC CORPORATION (JP) 2015-08-27 US disclosed
CN-104854217-A OCTAHYDRO BINAPHTHYL-BASED CHIRAL COMPOUND-CONTAINING LIQUID-CRYSTAL COMPOSITION AND OPTICAL ELEMENT JNC CORP 2015-08-19 CN disclosed
CN-104334687-A Optically isotropic liquid crystal medium and optical element JNC CORP 2015-02-04 CN disclosed
US-8858830-B2 Optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2014-10-14 US disclosed
EP-2787058-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL ELEMENT JNC Fibers Corporation (JP) 2014-10-08 EP disclosed
CN-103987809-A OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC CORP 2014-08-13 CN disclosed
US-20140132868-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-15 US disclosed
US-20130135544-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-05-30 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 (4 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-10308870-B2 Liquid crystal medium, optical device and liquid crystal compound OCIAD1, HCN3, HCN1 NPC1 2023/4885LMNA 2672/4885NFKB1 3067/4885
US-20150291548-A1 OCTAHYDRO BINAPHTHYL-BASED CHIRAL COMPOUND-CONTAINING LIQUID-CRYSTAL COMPOSITION AND OPTICAL ELEMENT KLK1, KLK2, SIK1 NPC1 1371/4885LMNA 2619/4885NFKB1 417/4885
US-20150240159-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL COMPOSITION AND OPTICAL DEVICE SCO2, CNOT1, LEO1 NPC1 2004/4885LMNA 2934/4885NFKB1 3062/4885
US-20160304784-A1 LIQUID CRYSTAL MEDIUM, OPTICAL DEVICE AND LIQUID CRYSTAL COMPOUND HCN1, PIEZO1, NCS1 NPC1 1894/4885LMNA 2135/4885NFKB1 2741/4885

“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.