SCHEMBL13851817

SCHEMBL13851817

Oc1ccc(-c2nc(-c3ccc(O)cc3O)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.44
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MEN1 O00255 1/20 0.40
NTRK1 P04629 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL13851819 1.00 ALOX5 (0.44) ALOX5ESR1ESR2MAPK1ALDH1A1
SCHEMBL13851823 0.92 ALDH1A1 (0.41) ALOX5ESR1ESR2MAPK1ALDH1A1
SCHEMBL6031344 0.87 ESR1 (0.50) ALOX5ESR1ESR2MAPK1MEN1
SCHEMBL6030742 0.87 ESR1 (0.50) ALOX5ESR1ESR2MAPK1MEN1
SCHEMBL15147215 0.83 ESR1 (0.53) ALOX5ESR1ESR2HPGDMEN1
SCHEMBL18913903 0.81 SMN1; SMN2 (0.57) ALOX5ESR1ESR2MAPK1ALDH1A1
SCHEMBL13851801 0.81 HSD17B1 (0.40) ALOX5ESR1ESR2ALDH1A1HPGD
SCHEMBL13851810 0.81 HSD17B1 (0.40) ALOX5ESR1ESR2ALDH1A1HPGD
SCHEMBL29625130 0.78 NPC1 (0.52) ALOX5ESR1ESR2ALDH1A1HPGD
SCHEMBL547889 0.78 NPC1 (0.52) ALOX5ESR1ESR2ALDH1A1HPGD

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
US-8586735-B2 Hydroxyphenyl triazines with an aromatic carbocyclic fused ring system BASF SE (DE) 2013-11-19 US disclosed
EP-1888539-B1 HYDROXYPHENYLTRIAZINES WITH AN AROMATIC CARBOCYCLIC FUSED RING SYSTEM BASF SE (DE) 2013-09-18 EP disclosed
US-20130143051-A1 HYDROXYPHENYL TRIAZINES WITH AN AROMATIC CARBOCYCLIC FUSED RING SYSTEM CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2013-06-06 US disclosed
US-20130143051-A1 HYDROXYPHENYL TRIAZINES WITH AN AROMATIC CARBOCYCLIC FUSED RING SYSTEM CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2013-06-06 US disclosed
US-8389719-B2 Hydroxyphenyltriazines with an aromatic carbocyclic fused ring system CIBA SPECIALTY CHEMICALS CORP. (US) 2013-03-05 US disclosed
US-8389719-B2 Hydroxyphenyltriazines with an aromatic carbocyclic fused ring system CIBA SPECIALTY CHEMICALS CORP. (US) 2013-03-05 US disclosed
US-20090136768-A1 Hydroxyphenyltriazines With An Aromatic Carbocyclic Fused Ring System CIBA CORPORATION 2009-05-28 US disclosed
US-20090136768-A1 Hydroxyphenyltriazines With An Aromatic Carbocyclic Fused Ring System CIBA CORPORATION 2009-05-28 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-20090136768-A1 Hydroxyphenyltriazines With An Aromatic Carbocyclic Fused Ring System AHR, PAH, TPH2 ALOX5 2501/4885ESR1 1525/4885ESR2 2151/4885

“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.