SCHEMBL6858729

SCHEMBL6858729

Oc1ccc(-c2ncc(OCCCCCCCCCCC(F)(F)F)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NR5A1 Q13285 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
APP P05067 1/20 0.37
LTA4H P09960 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36

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 0.87 NPC1 (0.40) NPC1RAB9AMEN1KMT2ANR5A1
SCHEMBL6534940 0.86 NPC1 (0.39) NPC1RAB9AMEN1KMT2ANR5A1
SCHEMBL6534692 0.85 NPC1 (0.41) NPC1RAB9AMEN1KMT2ANR5A1
SCHEMBL6980107 0.82 NR5A1 (0.65) NPC1RAB9AMEN1KMT2ANR5A1
SCHEMBL10346198 0.82 NR5A1 (0.65) NPC1RAB9AMEN1KMT2ANR5A1
SCHEMBL8387949 0.82 NR5A1 (0.65) NPC1RAB9AMEN1KMT2ANR5A1
SCHEMBL6534793 0.82 NR5A1 (0.65) NPC1RAB9AMEN1KMT2ANR5A1
SCHEMBL7061013 0.82 NR5A1 (0.65) NPC1RAB9AMEN1KMT2ANR5A1
SCHEMBL6976554 0.82 NR5A1 (0.65) NPC1RAB9AMEN1KMT2ANR5A1
SCHEMBL8436081 0.81 NR5A1 (0.63) NPC1RAB9AMEN1KMT2ANR5A1

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-6783812-B2 USEFUL IN THE MANUFACTURE OF OPTICAL DEVICES; STABILITY DISPLAYTECH, INC. 2004-08-31 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 (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-20020130299-A1 Alkyl silane liquid crystal compounds SMURF1, SMURF2, DSTN NPC1 2373/4885RAB9A 3181/4885MEN1 3350/4885

“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.