SCHEMBL3136985

SCHEMBL3136985

CCCCCCc1ccc(OC(=O)/C=C/c2ccc(OCCCCCCCCCCCOC(=O)c3cc(N)cc(N)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.45
APP P05067 5/20 0.44
THRB P10828 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
S1PR4 O95977 2/20 0.42
S1PR1 P21453 2/20 0.42

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
SCHEMBL3133489 1.00 NPC1 (0.45) NPC1MAPTRAB9AALDH1A1APP
SCHEMBL3146892 1.00 NPC1 (0.45) NPC1MAPTRAB9AALDH1A1APP
SCHEMBL3133478 1.00 NPC1 (0.45) NPC1MAPTRAB9AALDH1A1APP
SCHEMBL3150411 1.00 NPC1 (0.45) NPC1MAPTRAB9AALDH1A1APP
SCHEMBL3141023 1.00 NPC1 (0.45) NPC1MAPTRAB9AALDH1A1APP
SCHEMBL3132907 1.00 NPC1 (0.45) NPC1MAPTRAB9AALDH1A1APP
SCHEMBL3136838 1.00 NPC1 (0.45) NPC1MAPTRAB9AALDH1A1APP
SCHEMBL3146926 1.00 NPC1 (0.45) NPC1MAPTRAB9AALDH1A1APP
SCHEMBL3137000 1.00 NPC1 (0.45) NPC1MAPTRAB9AALDH1A1APP
SCHEMBL3150401 1.00 NPC1 (0.45) NPC1MAPTRAB9AALDH1A1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799791-B1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2016-01-13 EP disclosed
US-7687118-B2 Photocrosslinkable materials ROLIC AG (CH) 2010-03-30 US disclosed
US-20080069968-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-03-20 US disclosed
EP-1799791-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2007-06-27 EP disclosed
WO-2006039824-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2006-04-20 WO 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-20080069968-A1 Photocrosslinkable Materials PARG, VSIR, IGLV6-57 NPC1 4884/4885MAPT 467/4885RAB9A 2781/4885

“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.