SCHEMBL4982121

SCHEMBL4982121

OCCOc1ccc(-c2nc(-c3ccc(OCCO)cc3OCCO)nc(-c3ccc(OCCO)cc3OCCO)n2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
PDK2 Q15119 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MIF P14174 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH2 P05091 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NR1I2 O75469 1/20 0.38
PDE3B Q13370 1/20 0.38

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
SCHEMBL14036590 1.00 NPC1 (0.41) NPC1PDK2CA1CA2CA4
SCHEMBL14036384 0.94 S1PR1 (0.43) NPC1PDK2CA1CA2CA4
SCHEMBL12802944 0.94 PDK2 (0.44) PDK2CA1CA2CA4CA12
SCHEMBL4978800 0.92 NPC1 (0.46) NPC1PDK2CA1CA2CA4
SCHEMBL4979511 0.90 NPC1 (0.46) NPC1MAPTNPSR1KDM4EMAPK1
SCHEMBL29389504 0.87 NPC1 (0.50) NPC1PDK2MAPTTDP1LMNA
SCHEMBL29353919 0.87 NPC1 (0.50) NPC1PDK2MAPTTDP1LMNA
SCHEMBL195418 0.87 NPC1 (0.50) NPC1PDK2MAPTTDP1LMNA
SCHEMBL996673 0.87 NPC1 (0.50) NPC1PDK2MAPTTDP1LMNA
SCHEMBL29920062 0.87 NPC1 (0.50) NPC1PDK2MAPTTDP1LMNA

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 8 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-20050075465-A1 2-Hydroxyphenyl-s-triazine crosslinkers for polymer networks CIBA SPECIALTY CHEMICALS CORPORATION 2005-04-07 US disclosed
EP-1451248-A1 2-HYDROXYPHENYL-S-TRIAZINE CROSSLINKERS FOR POLYMER NETWORKS Ciba SC Holding AG (CH) 2004-09-01 EP disclosed
WO-2003046068-A1 2-HYDROXYPHENYL-S-TRIAZINE CROSSLINKERS FOR POLYMER NETWORKS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-06-05 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-20050075465-A1 2-Hydroxyphenyl-s-triazine crosslinkers for polymer networks H1-5, SMC4, H1-4 NPC1 4441/4885PDK2 3593/4885CA1 2780/4885

“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.