SCHEMBL6838367

SCHEMBL6838367

CCCC/C=C/CCCCOc1ccc(-c2ncc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CYP2C9 P11712 6/20 0.37
CYP2C19 P33261 6/20 0.37

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
SCHEMBL6838370 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6839279 0.97 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6839284 0.97 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6839281 0.97 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6839214 0.94 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6839212 0.94 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6839218 0.94 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6839223 0.92 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6839222 0.92 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6838377 0.85 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.