SCHEMBL6839281

SCHEMBL6839281

CCCC/C=C\CCOc1ccc(-c2ncc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 6/20 0.36
CYP2C19 P33261 6/20 0.36
CYP19A1 P11511 5/20 0.36
CYP2D6 P10635 7/20 0.36
CYP3A4 P08684 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL6839279 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6839284 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6838367 0.97 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6838370 0.97 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6839222 0.95 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6839223 0.95 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6839214 0.91 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6839212 0.91 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6839218 0.91 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6838377 0.82 NPC1 (0.37) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759101-B2 USEFUL IN FERROELECTRIC LIQUID CRYSTAL COMPOSITIONS; USE TO LOWER MELTING POINT OR LOWER FREEZING POINT, OF LIQUID CRYSTAL COMPOSITIONS DISPLAYTECH, INC. 2004-07-06 US disclosed
US-20020195585-A1 Liquid crystalline materials containing perfluoroalkyl and alkenyl tail groups CITIZEN FINEDEVICE CO., LTD. (JP) 2002-12-26 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-20020195585-A1 Liquid crystalline materials containing perfluoroalkyl and alkenyl tail groups ELOVL3, LPCAT1, FABP4 NPC1 1442/4885RAB9A 3617/4885SMN1; SMN2 3569/4885

“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.