SCHEMBL123422

SCHEMBL123422

CCC(CC(C)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
MAPK1 P28482 1/20 0.50
SLC1A3 P43003 2/20 0.48
SLC1A2 P43004 2/20 0.48
SLC1A1 P43005 2/20 0.48
TDP1 Q9NUW8 3/20 0.46
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
ALDH1A1 P00352 2/20 0.43
STING1 Q86WV6 3/20 0.39
GCLC P48506 2/20 0.38

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
Levulinic Acid SCHEMBL30924219 0.87 LMNA (0.56) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL8519589 0.86 TDP1 (0.50) CA2MAPK1SLC1A3SLC1A2SLC1A1
Acetic Acid SCHEMBL9387370 0.83 TDP1 (0.48) CA2MAPK1SLC1A3SLC1A2SLC1A1
Butanone SCHEMBL30401570 0.81 CA2 (0.58) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL61510 0.81 FOLH1 (0.54) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL987982 0.81 ALDH1A1 (0.46) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL30194820 0.81 FOLH1 (0.48) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL26838933 0.81 FOLH1 (0.54) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL31664724 0.81 CA2 (0.36) CA2MAPK1SLC1A3SLC1A2SLC1A1
Acetic Acid SCHEMBL19614692 0.80 CA2 (0.64) CA2MAPK1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558588-B1 HYDROTREATMENT PROCESS USING A SEQUENCE OF CATALYSTS WITH A CATALYST BASED ON NICKEL AND TUNGSTEN ON A SILICA-ALUMINA SUPPORT IFP ENERGIES NOW (FR) 2026-05-13 EP claimed
EP-4171806-B1 TRIMETALLIC CATALYST MADE FROM NICKEL, MOLYBDENUM AND TUNGSTEN AND USE THEREOF IN A HYDROTREATMENT AND/OR HYDROCRACKING PROCESS IFP ENERGIES NOW (FR) 2024-05-15 EP claimed
EP-3247779-B1 PHOTOLABILE ACETAL AND KETAL COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE VOLATILE CARBONYL COMPOUNDS FIRMENICH & CIE (CH) 2019-03-13 EP claimed
EP-2822682-B1 MICROCAPSULES AND USES THEREOF FIRMENICH & CIE (CH) 2017-04-26 EP claimed
EP-2748208-B1 PHOTOLABILE LATEX FOR THE RELEASE OF PERFUMES FIRMENICH & CIE (CH) 2016-06-22 EP claimed
EP-2152673-B1 3- TO 7-MEMBERED 1,3-DIAZA-4-OXO-HETEROCYCLIC DERIVATIVES CAPABLE OF RELEASING ACTIVE ALDEHYDES OR KETONES FIRMENICH & CIE (CH) 2014-08-20 EP claimed
US-6441198-B1 USEFUL AS ANTITUMOUR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-08-27 US claimed
EP-4642588-A1 ABRASIVE ARTICLE WITH ECO-FRIENDLY SOLVENT Saint-gobain Abrasives, Inc (US) 2025-11-05 EP disclosed
CN-119031839-A Compositions comprising an antimicrobial agent and an alkyl ketal ester compound 西姆莱斯股份公司 2024-11-26 CN disclosed
WO-2024145518-A1 ABRASIVE ARTICLE WITH ECO-FRIENDLY SOLVENT SAINT-GOBAIN ABRASIVES, INC. (US) 2024-07-04 WO disclosed
EP-4321651-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXO ESTER Biosynthis (FR) 2024-02-14 EP disclosed
EP-4305134-A1 METHOD OF FRACTIONATING A SHEA EXTRACT Biosynthis (FR) 2024-01-17 EP disclosed
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 US disclosed
US-4182908-A Methods for making ketal polycarboxylate compounds MONSANTO COMPANY (US) 1980-01-08 US disclosed
US-4124519-A Detergent compositions containing ketal polycarboxylate builder salts and methods employing the same MONSANTO COMPANY (US) 1978-11-07 US disclosed
US-4100358-A Ketal polycarboxylate compounds MONSANTO COMPANY (US) 1978-07-11 US disclosed
US-4087552-A ANTIVIRAL PFIZER INC. (US) 1978-05-02 US disclosed
US-4053476-A 7-AZA-6-ALKOXY-1-TETRALONES G. D. SEARLE & CO. (US) 1977-10-11 US disclosed
US-4034040-A Xylene-diamines as antiviral agents PFIZER INC. (US) 1977-07-05 US disclosed
US-4012391-A 11β-Alkyl-2-azaestratrienes and intermediates G. D. SEARLE & CO. (US) 1977-03-15 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-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 CA2 2713/4885MAPK1 2755/4885SLC1A3 3425/4885

“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.