SCHEMBL6534975

SCHEMBL6534975

CCCCCCCCCCOc1ccc(-c2ncc(O)cn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
KDM4E B2RXH2 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
HSD17B10 Q99714 2/20 0.65
NR5A1 Q13285 1/20 0.65
MAPT P10636 2/20 0.61
RARB P10826 3/20 0.57
LTA4H P09960 2/20 0.57
TP53 P04637 2/20 0.54
TSHR P16473 1/20 0.54
PLA2G4B P0C869 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP19A1 P11511 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
SCHEMBL7506953 1.00 NPC1 (0.65) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7877116 1.00 NPC1 (0.65) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9513828 1.00 NPC1 (0.65) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7883583 0.92 NPC1 (0.63) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9228047 0.90 NR5A1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10574379 0.90 NR5A1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10337755 0.90 NR5A1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL6255603 0.90 NR5A1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9343934 0.90 NR5A1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL6254577 0.90 NR5A1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6783812-B2 USEFUL IN THE MANUFACTURE OF OPTICAL DEVICES; STABILITY DISPLAYTECH, INC. 2004-08-31 US disclosed
US-6737124-B2 ESPECIALLY DISILANES DISPLAYTECH, INC. 2004-05-18 US disclosed
US-20030003245-A1 Liquid crystal compounds having a silane tail with a perfluoroalkyl terminal portion CITIZEN FINETECH MIYOTA CO., LTD. (JP) 2003-01-02 US disclosed
US-20020130299-A1 Alkyl silane liquid crystal compounds CITIZEN FINEDEVICE CO., LTD. (JP) 2002-09-19 US disclosed
US-6413448-B1 ESTERS; DOPANTS; LONGER CHIRAL SMECTIC PHASE PITCH; HIGHER TILT ANGLE; LOWER VISCOSITY; CRYSTALLIZATION SUPPRESSION; IMPROVED SOLUBILITY; BROADER C* PHASE TEMPERATURE RANGE DISPLAYTECH, INC. 2002-07-02 US disclosed
WO-2000065801-A9 CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE DISPLAYTECH INC (US) 2001-04-12 WO disclosed
WO-2000065801-A1 CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE DISPLAYTECH, INC. (US) 2000-11-02 WO disclosed
EP-0606090-B1 Mesomorphic compound, liquid crystal composition containing same, and liquid crystal device using same CANON KK (JP) 1997-10-29 EP disclosed
US-5589103-A Mesomorphic compound, liquid crystal composition containing same, and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1996-12-31 US disclosed
EP-0606090-A1 Mesomorphic compound, liquid crystal composition containing same, and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1994-07-13 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 (2 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-20030003245-A1 Liquid crystal compounds having a silane tail with a perfluoroalkyl terminal portion FFAR3, FFAR1, LPAR1 NPC1 393/4885RAB9A 1832/4885KDM4E 2549/4885
US-20020130299-A1 Alkyl silane liquid crystal compounds SMURF1, SMURF2, DSTN NPC1 2373/4885RAB9A 3181/4885KDM4E 651/4885

“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.