SCHEMBL4979511

SCHEMBL4979511

COc1ccc(-c2nc(-c3ccc(OCCO)cc3O)nc(-c3ccc(OCCO)cc3OCCO)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
MAPT P10636 10/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 4/20 0.45
MAPK1 P28482 3/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
MAPK10 P53779 2/20 0.44
SYK P43405 2/20 0.44
PTK2B Q14289 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 4/20 0.44
KDM4E B2RXH2 2/20 0.44
NOD2 Q9HC29 1/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43

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
SCHEMBL4977473 0.94 NPC1 (0.51) NPC1MAPTLMNAHTTMAPK1
SCHEMBL14036384 0.92 S1PR1 (0.43) NPC1MAPTLMNAMAPK1KMT2A
SCHEMBL4982121 0.90 NPC1 (0.41) NPC1MAPTLMNAMAPK1MAPK10
SCHEMBL14036590 0.90 NPC1 (0.41) NPC1MAPTLMNAMAPK1MAPK10
SCHEMBL14514279 0.89 MAPT (0.49) NPC1MAPTLMNAHTTMAPK1
SCHEMBL14036426 0.87 THRB (0.39) NPC1MAPTLMNAHTTMAPK1
SCHEMBL14514280 0.87 NPC1 (0.59) NPC1MAPTLMNAHTTMAPK1
SCHEMBL4977185 0.86 L3MBTL1 (0.43) NPC1MAPTLMNAMAPK1KMT2A
SCHEMBL4980859 0.85 LMNA (0.49) NPC1MAPTLMNAHTTMAPK1
SCHEMBL3813335 0.85 NPC1 (0.50) NPC1MAPTLMNAHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451248-B1 2-HYDROXYPHENYL-S-TRIAZINE CROSSLINKERS FOR POLYMER NETWORKS CIBA HOLDING INC (CH) 2008-11-26 EP disclosed
EP-1451248-B1 2-HYDROXYPHENYL-S-TRIAZINE CROSSLINKERS FOR POLYMER NETWORKS CIBA HOLDING INC (CH) 2008-11-26 EP disclosed
US-7214742-B2 2-hydroxyphenyl-s-triazine crosslinkers for polymer networks CIBA SPECIALTY CHEMICALS CORP. (US) 2007-05-08 US disclosed
US-7214742-B2 2-hydroxyphenyl-s-triazine crosslinkers for polymer networks CIBA SPECIALTY CHEMICALS CORP. (US) 2007-05-08 US disclosed
US-7214742-B2 2-hydroxyphenyl-s-triazine crosslinkers for polymer networks CIBA SPECIALTY CHEMICALS CORP. (US) 2007-05-08 US disclosed
US-7160949-B2 Olefin block copolymers, processes for producing the same and uses thereof MITSUI CHEMICALS, INC. (JP) 2007-01-09 US disclosed
EP-1275670-B1 OLEFIN BLOCK COPOLYMERS, PRODUCTION PROCESSES OF THE SAME AND USE THEREOF MITSUI CHEMICALS INC (JP) 2005-08-10 EP disclosed
US-20050075465-A1 2-Hydroxyphenyl-s-triazine crosslinkers for polymer networks CIBA SPECIALTY CHEMICALS CORPORATION 2005-04-07 US disclosed
US-20030055179-A1 Olefin block copolymers processes for producing the same and uses thereof MITSUI CHEMICALS, INC. (JP) 2003-03-20 US disclosed
EP-1275670-A1 OLEFIN BLOCK COPOLYMERS, PRODUCTION PROCESSES OF THE SAME AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2003-01-15 EP 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-20050075465-A1 2-Hydroxyphenyl-s-triazine crosslinkers for polymer networks H1-5, SMC4, H1-4 NPC1 4441/4885MAPT 1803/4885LMNA 2795/4885

“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.