SCHEMBL563177

SCHEMBL563177

O=C(O)c1ccc(C(=O)O)c(P(=O)(O)c2c(C(=O)O)ccc(C(=O)O)c2C(=O)O)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ ALDH1A1 P00352 9/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ SELL P14151 1/20 0.35
▸ SELP P16109 1/20 0.35
▸ CA12 O43570 3/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA7 P43166 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ CA14 Q9ULX7 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ CDC25A P30304 1/20 0.34
▸ CDC25B P30305 1/20 0.34

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
SCHEMBL563408 0.87 CYP1A2 (0.42) CYP1A2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8397660 0.78 CYP1A2 (0.38) CYP1A2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL562602 0.77 ALDH1A1 (0.52) CYP1A2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL562885 0.77 CYP1A2 (0.41) CYP1A2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL21625823 0.77 CYP1A2 (0.50) CYP1A2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2960134 0.76 KDM4E (0.38) CYP1A2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL29445717 0.75 CYP1A2 (0.61) CYP1A2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1988762 0.75 CYP1A2 (0.61) CYP1A2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL22989 0.75 CYP1A2 (0.61) CYP1A2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL5550251 0.73 CYP1A2 (0.58) CYP1A2ALDH1A1KDM4EHSD17B10HPGD

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005531-A1 Solid state polymerization process for polyester CIBA CORP. 2009-01-01 — — US claimed
EP-1110988-A1 CATALYST FOR POLYESTER PRODUCTION AND PROCESS FOR PRODUCING POLYESTER WITH THE SAME TEIJIN LIMITED (JP) 2001-06-27 — — EP claimed
EP-2957514-B1 MULTI-LAYER BOTTLE AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL CO (JP) 2021-08-04 — — EP disclosed
US-10144548-B2 Multi-layer bottle and method for producing same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-12-04 — — US disclosed
US-20160001914-A1 MULTI-LAYER BOTTLE AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-01-07 — — US disclosed
EP-2957514-A1 MULTI-LAYER BOTTLE AND METHOD FOR PRODUCING SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2015-12-23 — — EP disclosed
EP-2336217-B1 POLYESTER POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYESTER USING SAME TORAY INDUSTRIES (JP) 2015-01-14 — — EP disclosed
US-8816041-B2 Polyester polymerization catalyst and method for producing polyester using the same TORAY INDUSTRIES, INC. (JP) 2014-08-26 — — US disclosed
US-20120034480-A1 Catalyst for producing polyesters and polyester resin composition SAKAMOTO JUN (JP) 2012-02-09 — — US disclosed
US-20110178265-A1 POLYESTER POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYESTER USING THE SAME TORAY INDUSTRIES, INC. (JP) 2011-07-21 — — US disclosed
EP-2336217-A1 POLYESTER POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYESTER USING SAME Toray Industries, Inc. (JP) 2011-06-22 — — EP disclosed
US-7335719-B2 Polyester based on poly(trimethylene terephthalate) TEIJIN LIMITED (JP) 2008-02-26 — — US disclosed
US-7144974-B2 Polyester production method, polyester composition, and polyester fiber TORAY INDUSTRIES, INC. (JP) 2006-12-05 — — US disclosed
US-20050239929-A1 Polyester resin compositions, catalyst for polyester production, polyester film, and magnetic recording medium TORAY INDUSTRIES, INC. (JP) 2005-10-27 — — US disclosed
EP-1550683-A1 POLYESTER RESIN COMPOSITIONS, CATALYST FOR POLYESTER PRODUCTION, POLYESTER FILM, AND MAGNETIC RECORDING MEDIUM TORAY INDUSTRIES, INC. (JP) 2005-07-06 — — EP disclosed
US-20040266978-A1 Polyester production method, polyester composition, and polyester fiber TORAY INDUSTRIES, INC. (JP) 2004-12-30 — — US disclosed
US-20040116573-A1 Polyestrimethylene terephthalate polyester TEIJIN LIMITED (JP) 2004-06-17 — — US disclosed
EP-1426395-A1 POLYTRIMETHYLENE TEREPHTHALATE POLYESTER TEIJIN LIMITED (JP) 2004-06-09 — — EP disclosed
US-6593447-B1 Reaction product of titanium alkoxide, aromatic polycarboxylic acid, and organophosphonic acid TEIJIN LIMITED (JP) 2003-07-15 — — US disclosed
EP-1110988-A1 CATALYST FOR POLYESTER PRODUCTION AND PROCESS FOR PRODUCING POLYESTER WITH THE SAME TEIJIN LIMITED (JP) 2001-06-27 — — 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 (2 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-20120034480-A1 Catalyst for producing polyesters and polyester resin composition PUF60, RPS24, SRP54 CYP1A2 4439/4885ALDH1A1 4666/4885KDM4E 959/4885
US-20110178265-A1 POLYESTER POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYESTER USING THE SAME MGAM, MANBA, MAN2A1 CYP1A2 1248/4885ALDH1A1 2352/4885KDM4E 1599/4885

“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.

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