SCHEMBL2600359

SCHEMBL2600359

CC(C)C(=O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
HSD11B1 P28845 1/20 0.37
GAA P10253 1/20 0.37
EPHX1 P07099 3/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL16674533 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1228934 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1911562 0.97 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL2600355 0.92
SCHEMBL800709 0.86
SCHEMBL21099805 0.86 MAPT (0.33) CES2CES1ALDH1A1
SCHEMBL13197315 0.86 MAPT (0.33) CES2CES1ALDH1A1
SCHEMBL21100159 0.86 MAPT (0.33) CES2CES1ALDH1A1
SCHEMBL11714520 0.84 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL21100032 0.82 CES2 (0.36) CES2CES1HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102557867-A Method for producing low-medium-carbon alcohol LANZHOU CHEM PHYS INST 2012-07-11 CN claimed
CN-119968452-A Perfume mixture (VI) 西姆莱斯股份公司 2025-05-09 CN disclosed
US-20250135059-A1 COMPOSITIONS COMPRISING FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY 2025-05-01 US disclosed
EP-4188471-B1 MICROSPHERE DRUG COATED MEDICAL DEVICES AND METHODS BIOTRONIK AG (CH) 2024-07-03 EP disclosed
US-11826492-B2 Intratumoral drug delivery materials and methods for treating breast cancer BIOTRONIK AG (CH) 2023-11-28 US disclosed
US-11826492-B2 Intratumoral drug delivery materials and methods for treating breast cancer BIOTRONIK AG (CH) 2023-11-28 US disclosed
US-20230364016-A1 INTRACRANIAL DRUG DELIVERY MATERIALS AND METHODS BIOTRONIK AG (CH) 2023-11-16 US disclosed
US-20230364016-A1 INTRACRANIAL DRUG DELIVERY MATERIALS AND METHODS BIOTRONIK AG (CH) 2023-11-16 US disclosed
US-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 US disclosed
US-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 US disclosed
EP-0520642-A1 Resist material and pattern formation process WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-12-30 EP disclosed
EP-0476865-A1 Resist material and process for forming pattern using the same WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-03-25 EP disclosed
EP-0440374-A2 Chemical amplified resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1991-08-07 EP disclosed
US-4871848-A OIL, GAS WELLS CORROSION INHIBITORS THE DOW CHEMICAL COMPANY (US) 1989-10-03 US disclosed
US-4740320-A REACTION OF NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPONENT, KETONE OR ALDEHYDE, AMINE OR POLYAMINE THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed
US-4724003-A Asphalt compositions containing anti-stripping additives prepared from hydrocarbyl substituted nitrogen-containing aromatic heterocyclic compounds, aldehydes or ketones and amines THE DOW CHEMICAL COMPANY (US) 1988-02-09 US disclosed
US-4187251-A DEODORIZING, ALKYLCYCLOHEXYL ALKYL KETONES SCHLEPPNIK ALFRED A 1980-02-05 US disclosed
US-4043790-A 2-OR 4-SUBSTITUTED PYRIDINE METHANE OR PYRIDINE METHANOL, NONHERBICIDAL ELI LILLY AND COMPANY (US) 1977-08-23 US disclosed
US-3992451-A IN THE PRESENCE OF FREE RADICAL CATALYSTS, HYDROGEN CHLORIDE, AND CARBON MONOXIDE UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-11-16 US disclosed
US-3974209-A WATER TREATMENT, COMPLEX METAL IONS MONSANTO COMPANY (US) 1976-08-10 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 (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-20230295201-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 CES2 3044/4885CES1 1965/4885HDAC8 899/4885
US-20230364016-A1 INTRACRANIAL DRUG DELIVERY MATERIALS AND METHODS PGF, MMP1, NES CES2 70/4885CES1 2486/4885HDAC8 329/4885
US-11826492-B2 Intratumoral drug delivery materials and methods for treating breast cancer EGFR, BRCA1, ERBB2 CES2 736/4885CES1 2619/4885HDAC8 925/4885

“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.