SCHEMBL607503

SCHEMBL607503

C[C@H](O)CC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPK1 P28482 1/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
MLYCD O95822 9/20 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
SCHEMBL5468494 1.00 CYP2D6 (0.53) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1260631 1.00 CYP2D6 (0.53) CYP2D6HDAC3HDAC1HDAC2HDAC8
Ammonia Solution, Strong SCHEMBL27642892 0.98 CYP2D6 (0.51) CYP2D6HDAC3HDAC1HDAC2HDAC8
3-Hydroxybutyric Acid, (+/-)- SCHEMBL31533997 0.92 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL34471491 0.88 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6154559 0.83 CYP2D6 (0.50) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2690899 0.83 CYP2D6 (0.55) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1260230 0.83 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6503240 0.83 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6545357 0.83 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102199633-B Method for preparing (S)-(+)-3-hydroxyl tert-butyl butyrate by biotransformation UNIV ZHEJIANG TECHNOLOGY 2013-04-17 CN claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
CN-102199633-A Method for preparing (S)-(+)-3-hydroxyl tert-butyl butyrate by biotransformation UNIV ZHEJIANG TECHNOLOGY 2011-09-28 CN claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-20260035357-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCE INC (US) 2026-02-05 US disclosed
US-12404262-B2 Therapeutic compounds for HIV virus infection GILEAD SCIENCES, INC. (US) 2025-09-02 US disclosed
EP-4440701-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2024-10-09 EP disclosed
CN-113652407-B Carbonyl reductase mutant and application thereof in asymmetric synthesis of chiral compound 浙江工业大学 2024-01-16 CN disclosed
US-20230212148-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-07-06 US disclosed
WO-2023102523-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2023-06-08 WO disclosed
US-20230105745-A1 CYCLOALKYL AND HETERO-CYCLOALKYL INHIBITORS, PREPARATION METHODS THEREFOR, AND USE THEREOF SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2023-04-06 US disclosed
US-11459327-B1 Cycloalkyl and hetero-cycloalkyl inhibitors, preparation methods therefor, and use thereof SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2022-10-04 US disclosed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO disclosed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US disclosed
US-6384228-B2 EPIBATIDINE; ANALGESICS; ANIMAL EXTRACTS NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-05-07 US disclosed
US-20020010339-A1 METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-01-24 US disclosed
EP-0266217-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS CHISSO CORPORATION (JP) 1992-12-30 EP disclosed
US-4916074-A ENZYMATIC TRANS ESTERIFICATION OF ALCOHOL WITH TRIGLYCERIDES; PSEUDOMONAS-DERIVED ENZYME CHISSO CORPORATION (JP) 1990-04-10 US disclosed
EP-0266217-A2 Process for producing optically active compounds CHISSO CORPORATION (JP) 1988-05-04 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 (7 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-20020010339-A1 METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF DHPS, ALAD, HAAO CYP2D6 458/4885HDAC3 1096/4885HDAC1 872/4885
US-20230105745-A1 CYCLOALKYL AND HETERO-CYCLOALKYL INHIBITORS, PREPARATION METHODS THEREFOR, AND USE THEREOF KRAS, NRAS, WEE1 CYP2D6 741/4885HDAC3 4753/4885HDAC1 3774/4885
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 CYP2D6 401/4885HDAC3 2206/4885HDAC1 3221/4885
US-11459327-B1 Cycloalkyl and hetero-cycloalkyl inhibitors, preparation methods therefor, and use thereof KRAS, NRAS, WEE1 CYP2D6 741/4885HDAC3 4753/4885HDAC1 3774/4885
US-12404262-B2 Therapeutic compounds for HIV virus infection HAVCR2, MAVS, CD4 CYP2D6 2283/4885HDAC3 1404/4885HDAC1 1151/4885
US-20230212148-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION CPSF6, NFATC1, CPSF1 CYP2D6 494/4885HDAC3 2698/4885HDAC1 1930/4885
US-20260035357-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION CCR10, CCR1, CCR3 CYP2D6 496/4885HDAC3 187/4885HDAC1 300/4885

“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.