SCHEMBL8551385

SCHEMBL8551385

CCOC(=O)CCCCCP(=O)(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
PPARD Q03181 1/20 0.47
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DGKA P23743 1/20 0.44
GAA P10253 1/20 0.43
ENPP2 Q13822 5/20 0.42
LPAR6 P43657 1/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR4 Q99677 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
USP2 O75604 1/20 0.41
PAM P19021 2/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1406274 1.00 CYP1A2 (0.48) CYP1A2PPARDALDH1A1ALOX15TDP1
SCHEMBL4232740 1.00 CYP1A2 (0.48) CYP1A2PPARDALDH1A1ALOX15TDP1
SCHEMBL18590888 1.00 CYP1A2 (0.48) CYP1A2PPARDALDH1A1ALOX15TDP1
SCHEMBL4931741 0.98 CYP1A2 (0.50) CYP1A2PPARDALDH1A1ALOX15TDP1
SCHEMBL2235112 0.93 CYP1A2 (0.52) CYP1A2PPARDALDH1A1ALOX15TDP1
SCHEMBL4648943 0.86 DGKA (0.48) CYP1A2PPARDTSHRDGKAENPP2
SCHEMBL28336971 0.86 TSHR (0.48) PPARDALDH1A1TSHRENPP2KMT2A
SCHEMBL710885 0.85 PPARD (0.54) CYP1A2PPARDALDH1A1ALOX15TSHR
SCHEMBL7717030 0.84 PPARD (0.52) CYP1A2PPARDALDH1A1ALOX15TDP1
SCHEMBL27884629 0.83 CYP1A2 (0.46) CYP1A2ALDH1A1ALOX15TDP1CYP3A4

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-20180147219-A1 ENOLASE INHIBITORS AND METHODS OF TREATMENT THEREWITH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2018-05-31 US disclosed
CN-104341787-B Particle, particle dispersion, particle dissipating resin composition, its manufacture method, resin molded body, its manufacture method 日东电工株式会社 2018-02-16 CN disclosed
CN-102822098-B Particle, particle dispersion liquid, particle-dispersed resin composition, method for producing same, resin molded article, method for producing same, catalyst particle, catalyst liquid, catalyst composition, catalyst molded article, titanium complex, titanium oxide particle, and method for producing same NITTO DENKO CORP. (JP) 2015-11-25 CN disclosed
CN-104341787-A PARTICLES, PARTICLE DISPERSION SOLUTION, PARTICLE DISPERSION RESIN COMPOSITION, PRODUCTION METHOD THEREFOR, RESIN MOLDED BODY, PRODUCTION METHOD THEREFOR, NITTO DENKO CORP 2015-02-11 CN disclosed
CN-102822098-A Particle, particle dispersion liquid, particle-dispersed resin composition, method for producing same, resin molded article, method for producing same, catalyst particle, catalyst liquid, catalyst composition, catalyst molded article, titanium complex, titanium oxide particle, and method for producing same NITTO DENKO CORP 2012-12-12 CN disclosed
CN-102250385-A ORGANIC-INORGANIC COMPOSITE PARTICLES, PARTICLE DISPERSION, PARTICLE-DISPERSED RESIN COMPOSITION, AND METHOD FOR PRODUCING ORGANIC-INORGANIC COMPOSITE PARTICLES NITTO DENKO CORP 2011-11-23 CN disclosed
EP-0749428-B1 ISOXAZOLINE COMPOUNDS AS INHIBITORS OF TNF RELEASE PFIZER (US) 1998-07-29 EP disclosed
EP-0730588-B1 ISOXAZOLINE COMPOUNDS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1997-07-02 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-20180147219-A1 ENOLASE INHIBITORS AND METHODS OF TREATMENT THEREWITH ENO1, ECE1, ECI1 CYP1A2 1323/4885PPARD 3265/4885ALDH1A1 488/4885

“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.