Sugi Predict

Sugi Predict / Compounds / SCHEMBL3207653

SCHEMBL3207653

SCHEMBL3207653

CC(=O)OC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ KCNH2 Q12809 1/20 0.40
▸ PABPC1 P11940 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KCNN4 O15554 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ EDNRB P24530 1/20 0.38
▸ EDNRA P25101 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KCNA5 P22460 1/20 0.37
▸ ACSS2 Q9NR19 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ TTR P02766 1/20 0.37
▸ POLB P06746 1/20 0.36

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
SCHEMBL3207658 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4KCNH2PABPC1APOBEC3A
SCHEMBL3760203 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4KCNH2PABPC1APOBEC3A
SCHEMBL14064156 0.85 ALDH1A1 (0.46) ALDH1A1CYP3A4KCNH2PABPC1APOBEC3A
SCHEMBL14631099 0.84 HPGD (0.39) ALDH1A1CYP3A4KMT2AKCNN4HSD17B10
SCHEMBL10411477 0.82 OPRM1 (0.42) ALDH1A1CYP3A4KCNH2KMT2AHSD17B10
SCHEMBL10411486 0.82 OPRM1 (0.42) ALDH1A1CYP3A4KCNH2KMT2AHSD17B10
SCHEMBL27282374 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4KCNH2PABPC1APOBEC3A
SCHEMBL28159968 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4KCNH2PABPC1APOBEC3A
SCHEMBL9607535 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4PABPC1APOBEC3AAPOBEC3G
SCHEMBL9607539 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4PABPC1APOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112604-B2 Process for the preparation of Atorvastatin and intermediates APOTEX PHARMACHEM INC. (CA) 2006-09-26 — — US claimed
US-20060194867-A1 PROCESS FOR THE PREPARATION OF ATORVASTATIN AND INTERMEDIATES APOTEX PHARMACHEM INC. 2006-08-31 — — US claimed
US-20240102069-A1 METHODS AND COMPOSITIONS PLANT BIOSCIENCE LIMITED (GB) 2024-03-28 — — US disclosed
EP-4267750-A2 METHODS AND ENZYMES FOR PRODUCING QUILLAIC ACID DERIVATIVES Plant Bioscience Limited (GB) 2023-11-01 — — EP disclosed
WO-2022136563-A2 METHODS AND COMPOSITIONS PLANT BIOSCIENCE LIMITED (GB) 2022-06-30 — — WO disclosed
WO-2021076238-A1 CLEAR NAIL TOP COAT COMPOSITIONS AND METHODS OF MAKING ILNP Cosmetics Inc. (US) 2021-04-22 — — WO disclosed
CN-108048515-A The method that anti-oxidation peptide is extracted in dinoflagellate 浦江县欧立生物技术有限公司 2018-05-18 — — CN disclosed
US-RE45128-E1 Cephalotaxane derivatives and their processes of preparation and purification IVAX International GmbH (CH) 2014-09-09 — — US disclosed
US-8318933-B2 Process for preparing rosuvastatin calcium AUROBINDO PHARMA LTD (IN) 2012-11-27 — — US disclosed
US-8212035-B2 Process for preparation of rosuvastatin calcium field of the invention AUROBINDO PHARMA LTD. (IN) 2012-07-03 — — US disclosed
US-7842687-B2 Natural, synthetic or semi-synthetic crude harringtonines purified by chromatography and crystallization in which the solvent is water or lower C1-4 alkanol or an aqueous mixture of organic solvents; treatment of cancer through oral administration CHEMGENEX PHARMACEUTICALS, INC. (AU) 2010-11-30 — — US disclosed
EP-0424929-A1 Isoquinolone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-05-02 — — EP disclosed
US-4983746-A Oxetanones and process for their production HOFFMANN-LA ROCHE INC. (US) 1991-01-08 — — US disclosed
US-4946841-A INHIBITORS OF HYDROXYMETHYLGLUTARIC ACID-COENZYME A REDUCTASE HOECHST AKTIENGESELLACHAFT (DE) 1990-08-07 — — US disclosed
US-4931463-A PANCREAS LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1990-06-05 — — US disclosed
US-4897490-A DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE BRISTOL-MEYERS COMPANY (US) 1990-01-30 — — US disclosed
US-RE33033-E REACTING AND ALDEHYDE WITH ENOLATE OF AN ALKYLACETATE; HYDROLYSIS MERCK & CO., INC. (US) 1989-08-22 — — US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 — — WO disclosed
EP-0207456-A2 Process for the preparation of HMG-CoA reductase inhibitors intermediates MERCK & CO. INC. (US) 1987-01-07 — — EP disclosed
US-4611081-A Process for the preparation of HMG-CoA reductase inhibitors intermediates MERCK & CO., INC. (US) 1986-09-09 — — 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-20060194867-A1 PROCESS FOR THE PREPARATION OF ATORVASTATIN AND INTERMEDIATES ACSL1, ACSL3, ACSL6 ALDH1A1 104/4885CYP3A4 580/4885KCNH2 1540/4885

“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.