SCHEMBL2483068

SCHEMBL2483068

CCCc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1CCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.56
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TP53 P04637 3/20 0.56
CYP3A4 P08684 2/20 0.56
HIF1A Q16665 2/20 0.56
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
ATP2A2 P16615 1/20 0.47
ATP2A3 Q93084 1/20 0.47
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
HSPA5 P11021 2/20 0.38
LMNA P02545 4/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2477818 0.90 ALOX15 (0.53) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL29517048 0.87 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL2484931 0.87 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL31267398 0.87 ALOX15 (0.50) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL27559201 0.81 ALOX15 (0.58) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL27494856 0.79 CYP2C9 (0.50) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL2484356 0.78 ALOX15 (0.54) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL16736921 0.77 ALOX15 (0.48) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL28365844 0.77 ALOX15 (0.48) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL16736885 0.77 ALOX15 (0.48) ALOX15ALDH1A1SMN1; SMN2TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090491-A1 PHENOL-FREE PHOSPHITES DERIVATIVES AND PREPARATION THEREOF CHANG CHUN PETROCHEMICAL CO., LTD. (TW) 2013-04-11 US disclosed
EP-1947725-B1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL CO (JP) 2011-10-19 EP disclosed
EP-1947725-A2 Polymer electrolyte composition and fuel cell Sumitomo Chemical Company, Limited (JP) 2008-07-23 EP disclosed
EP-1289041-B1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL CO (JP) 2008-03-12 EP disclosed
US-20060257706-A1 POLYMER ELECTROLYTE COMPOSITION AND FUEL CELL HIDAKA YASUAKI 2006-11-16 US disclosed
US-20030113605-A1 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-19 US disclosed
EP-1289041-A2 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-05 EP disclosed
US-4134933-A 4,4-Thio-bis-(dialkylphenol)/formaldehyde condensates RUHRCHEMIE AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed
US-4072659-A 4,4'-Thio-bis-(dialkylphenol)/formaldehyde condensates and process for producing them RUHRCHEMIE AG (DT) 1978-02-07 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-20130090491-A1 PHENOL-FREE PHOSPHITES DERIVATIVES AND PREPARATION THEREOF PHOSPHO1, PPA1, PLCG2 ALOX15 1316/4885ALDH1A1 2808/4885SMN1; SMN2 3803/4885

“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.