SCHEMBL2774683

SCHEMBL2774683

CCCCCCCOc1ccc(-c2ncc(CCCCCCC)cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.63
RAB9A P51151 5/20 0.63
KDM4E B2RXH2 4/20 0.63
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HSD17B10 Q99714 2/20 0.63
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
HPGD P15428 3/20 0.60
MEN1 O00255 2/20 0.60
USP2 O75604 2/20 0.60
KMT2A Q03164 2/20 0.60
GAA P10253 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.56
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
CYP3A4 P08684 2/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL9436035 1.00 RARB (0.63) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL9636338 1.00 RARB (0.63) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL7907379 1.00 RARB (0.63) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL13029249 1.00 RARB (0.63) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL10342131 1.00 RARB (0.63) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL9241350 1.00 RARB (0.63) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL7910730 1.00 RARB (0.63) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL8961773 1.00 RARB (0.63) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL7121080 1.00 RARB (0.63) RARBRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL4815333 1.00 RARB (0.63) RARBRAB9AKDM4ENPC1SMN1; 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 178 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US claimed
US-8956705-B2 Ferroelectric liquid crystal (FLC) polymers CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-02-17 US disclosed
US-8778223-B2 Liquid crystals having cyclohexyl core structures and fluorinated tails LC VISION, LLC (US) 2014-07-15 US disclosed
US-20120326083-A1 LIQUID CRYSTALS HAVING CYCLOHEXYL CORE STRUCTURES AND FLUORINATED TAILS LC VISION, LLC 2012-12-27 US disclosed
US-20100220279-A1 FERROELECTRIC LIQUID CRYSTAL (FLC) POLYMERS NATIONAL SCIENCE FOUNDATION 2010-09-02 US disclosed
WO-2010088333-A2 FERROELECTRIC LIQUID CRYSTAL (FLC) POLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-08-05 WO disclosed
US-7195719-B1 High polarization ferroelectric liquid crystal compositions DISPLAYTECH, INC. (US) 2007-03-27 US disclosed
EP-0639189-B1 PYRIDYLPYRIMIDINES, A METHOD OF PREPARING THEM, AND THEIR USE IN LIQUID-CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2003-02-19 EP disclosed
EP-0799830-B1 Imidazothiazol derivatives as components of liquid crystalline mixtures ROLIC AG (CH) 2002-05-29 EP disclosed
EP-1160242-A1 Aromatic fatty acid esters Rolic AG (CH) 2001-12-05 EP disclosed
WO-1986006401-A1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 WO disclosed
WO-1986006373-A1 NITROGEN-CONTAINING HETEROCYCLES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 WO disclosed
EP-0199004-A1 Pyrimidine derivatives MERCK PATENT GmbH (DE) 1986-10-29 EP disclosed
WO-1986005799-A1 LIQUID CRYSTAL PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-10-09 WO disclosed
WO-1986005484-A1 CYCLOHEXANE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-09-25 WO disclosed
WO-1986004328-A1 TERPENOID DERIVATIVES AND LIQUID CRYSTAL MATERIALS AND DEVICES CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1986-07-31 WO disclosed
WO-1986004081-A1 LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-07-17 WO disclosed
EP-0174541-A1 Electrooptic display element MERCK PATENT GmbH (DE) 1986-03-19 EP disclosed
EP-0152808-A2 Nitrogen containing heterocycles MERCK PATENT GmbH (DE) 1985-08-28 EP disclosed
EP-0151446-A2 Liquid crystal phase MERCK PATENT GmbH (DE) 1985-08-14 EP 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-20120326083-A1 LIQUID CRYSTALS HAVING CYCLOHEXYL CORE STRUCTURES AND FLUORINATED TAILS Q6ZSR9, CRACR2A, RCC1 RARB 3797/4885RAB9A 2644/4885KDM4E 759/4885

“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.