Sugi Predict

Sugi Predict / Compounds / SCHEMBL9800535

SCHEMBL9800535

SCHEMBL9800535

CC(C)(C)OC(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ ELANE P08246 5/20 0.54
▸ SRD5A2 P31213 1/20 0.52
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ F2 P00734 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.48

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
Hydrogen Peroxide SCHEMBL28474133 0.92 TDP1 (0.64) ALDH1A1TSHRTDP1HSD17B10CA12
SCHEMBL260960 0.92 TDP1 (0.64) ALDH1A1TSHRTDP1HSD17B10CA12
SCHEMBL29199324 0.92 TDP1 (0.64) ALDH1A1TSHRTDP1HSD17B10CA12
Hydrogen Peroxide SCHEMBL28425777 0.92 TDP1 (0.64) ALDH1A1TSHRTDP1HSD17B10CA12
SCHEMBL4532351 0.92 ELANE (0.60) ALDH1A1TSHRTDP1HSD17B10ELANE
Hydrochloric Acid SCHEMBL23276979 0.90 TDP1 (0.62) ALDH1A1TSHRTDP1HSD17B10CA12
SCHEMBL1389524 0.90 TDP1 (0.62) ALDH1A1TSHRTDP1HSD17B10CA12
SCHEMBL31470406 0.90 TDP1 (0.62) ALDH1A1TSHRTDP1HSD17B10CA12
SCHEMBL6051152 0.90 TDP1 (0.62) ALDH1A1TSHRTDP1HSD17B10CA12
SCHEMBL30915582 0.90 TDP1 (0.62) ALDH1A1TSHRTDP1HSD17B10CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683770-B1 Process for the production of intermediate products for polymeric materials with addition components or components made from them, processes for the production of polymeric materials based on intermediate products, use of polymeric materials and use of components made of polymeric materials WINKELMANN FELIX (DE) 2024-07-31 — — EP disclosed
US-20210156847-A1 METHODS AND USES OF ENZYMATIC LABELING OF ADP-RIBOSE CONTAINING MOLECULES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-05-27 — — US disclosed
CN-109721604-B Preparation method of pemetrexed acid 南京亚东启天药业有限公司 2021-03-23 — — CN disclosed
US-9458326-B2 Polymer materials comprising coupled components WINKELMANN FELIX (DE) 2016-10-04 — — US disclosed
US-9382345-B2 Polymer compounds having coupled components WINKELMANN FELIX (DE) 2016-07-05 — — US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 — — US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 — — US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 — — US disclosed
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2014-09-25 — — US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 — — EP disclosed
US-20140080938-A1 POLYMER COMPOUNDS HAVING COUPLED COMPONENTS WINKELMANN FELIX (DE) 2014-03-20 — — US disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 — — WO disclosed
US-20120238651-A1 POLYMER MATERIALS COMPRISING COUPLED COMPONENTS WINKELMANN FELIX (DE) 2012-09-20 — — US disclosed
US-20090018184-A1 Polyether Brevetoxin Derivatives as a Treatment for Cystic Fibrosis, Mucociliary Dysfunction, and Pulmonary Diseases UNIVERSITY OF NORTH CAROLINA AT WILMINGTON 2009-01-15 — — US disclosed
US-7399782-B2 Polyether brevetoxin derivatives as a treatment for cystic fibrosis, mucociliary dysfunction, and pulmonary diseases UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) 2008-07-15 — — US disclosed
EP-0269573-B1 LIQUID PHOTOINITIATING MIXTURE CIBA-GEIGY AG (CH) 1991-03-27 — — EP disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 — — US disclosed
EP-0269573-A2 Liquid photoinitiating mixture CIBA-GEIGY AG (CH) 1988-06-01 — — 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 (3 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-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 ALDH1A1 1213/4885TSHR 4426/4885TDP1 228/4885
US-20210156847-A1 METHODS AND USES OF ENZYMATIC LABELING OF ADP-RIBOSE CONTAINING MOLECULES PARP11, PARP15, PARP16 ALDH1A1 2251/4885TSHR 3993/4885TDP1 159/4885
US-20090018184-A1 Polyether Brevetoxin Derivatives as a Treatment for Cystic Fibrosis, Mucociliary Dysfunction, and Pulmonary Diseases CFTR, MUC1, SLC47A1 ALDH1A1 3628/4885TSHR 1290/4885TDP1 4654/4885

“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.