SCHEMBL68667

SCHEMBL68667

CCCCc1cc(O)cc(S)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.64
CYP3A4 P08684 2/20 0.64
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 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
SCHEMBL22080498 0.94 PTGS2 (0.74) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL70141 0.88 PTGS2 (0.52) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL18642017 0.85 HPGD (0.50) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL7041323 0.85 HPGD (0.50) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL70008 0.85 PTGS2 (0.86) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL261561 0.85 PTGS2 (0.78) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL5164535 0.81 PTGS2 (0.72) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL5166224 0.79 PTGS2 (0.69) PTGS2CYP3A4NPC1HPGDMAPK1
While Olivetol SCHEMBL16922154 0.79 PTGS2 (1.00) PTGS2CYP3A4NPC1HPGDMAPK1
While Olivetol SCHEMBL31545864 0.79 PTGS2 (1.00) PTGS2CYP3A4NPC1HPGDMAPK1

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-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 PTGS2 2866/4885CYP3A4 2028/4885NPC1 4583/4885

“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.