SCHEMBL14329902

SCHEMBL14329902

CCC[C@@H](F)[C@H](F)COc1ccc(-c2ncc(OCCCCCCC[Si](C)(C)C)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.41
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2D6 P10635 3/20 0.39
CYP19A1 P11511 3/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 4/20 0.38
RARB P10826 3/20 0.38
PLA2G4B P0C869 1/20 0.38
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6017546 0.94 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL14570058 0.86 NPC1 (0.52) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9833330 0.86 NPC1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9222998 0.85 NPC1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9538211 0.85 NPC1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9330780 0.83 NPC1 (0.60) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL6471144 0.83 NPC1 (0.60) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9331452 0.83 NPC1 (0.60) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9403650 0.83 NPC1 (0.60) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9330809 0.83 NPC1 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778223-B2 Liquid crystals having cyclohexyl core structures and fluorinated tails LC VISION, LLC (US) 2014-07-15 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

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 NPC1 842/4885RAB9A 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.