SCHEMBL6534692

SCHEMBL6534692

Oc1ccc(-c2ncc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NR5A1 Q13285 1/20 0.34
MAPT P10636 3/20 0.33
LTA4H P09960 2/20 0.33
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL6854562 0.99 NPC1 (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6858737 0.89 NPC1 (0.41) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL6858729 0.85 NPC1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6838377 0.81 NPC1 (0.37) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9141866 0.81 NR5A1 (0.50) NR5A1LTA4H
SCHEMBL6534705 0.80 NPC1 (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6838370 0.79 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL6838367 0.79 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL6839212 0.79 NPC1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6839218 0.79 NPC1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; 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 6 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-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-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-20020195585-A1 Liquid crystalline materials containing perfluoroalkyl and alkenyl tail groups CITIZEN FINEDEVICE CO., LTD. (JP) 2002-12-26 US disclosed
US-20020130299-A1 Alkyl silane liquid crystal compounds CITIZEN FINEDEVICE CO., LTD. (JP) 2002-09-19 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 (3 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 1832/4885MEN1 3636/4885
US-20020130299-A1 Alkyl silane liquid crystal compounds SMURF1, SMURF2, DSTN NPC1 2373/4885RAB9A 3181/4885MEN1 3350/4885
US-20020195585-A1 Liquid crystalline materials containing perfluoroalkyl and alkenyl tail groups ELOVL3, LPCAT1, FABP4 NPC1 1442/4885RAB9A 3617/4885MEN1 3032/4885

“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.