SCHEMBL109486

SCHEMBL109486

CCCC(=O)CCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC1 Q13547 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC3 O15379 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
FFAR3 O14843 3/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.36
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL25616619 0.90 CA1 (0.46) CA1CES2CES1HDAC1HDAC2
SCHEMBL110531 0.89 CA1 (0.60) CA1ALDH1A1TDP1TRPA1
SCHEMBL8005447 0.88 CA1 (0.44) CA1CES2CES1HDAC1HDAC2
Alcohol SCHEMBL7119110 0.86 CA1 (0.52) CA1TSHRALDH1A1TDP1TRPA1
Fluoride SCHEMBL28026874 0.86 CA1 (0.57) CA1ALDH1A1TDP1TRPA1
SCHEMBL14350722 0.86 CA1 (0.57) CA1ALDH1A1TDP1TRPA1
SCHEMBL105813 0.85 MAPT (0.41) CA1CES2CES1HDAC1HDAC2
SCHEMBL109369 0.85 KMT2A (0.46) CA1CES2CES1ALDH1A1MAPT
SCHEMBL1966054 0.83 KMT2A (0.56) CES2CES1TSHRALDH1A1TDP1
SCHEMBL26105510 0.83 KMT2A (0.45) CA1CES2CES1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260076371-A1 AGROCHEMICAL COMPOSITION OF TRIAZOLES ADAMA MAKHTESHIM LTD. (IL) 2026-03-19 US claimed
US-20260026501-A1 AGROCHEMICAL COMPOSITION OF SDHI FUNGICIDES ADAMA MAKHTESHIM LTD. (IL) 2026-01-29 US claimed
EP-4554380-A1 AGROCHEMICAL COMPOSITION OF SDHI FUNGICIDES ADAMA MAKHTESHIM LTD. (IL) 2025-05-21 EP claimed
WO-2024018453-A1 COMPOSITIONS OF TRIAZOLE FUNGICIDES ADAMA MAKHTESHIM LTD. (IL) 2024-01-25 WO claimed
WO-2024013735-A1 AGROCHEMICAL COMPOSITION OF SDHI FUNGICIDES ADAMA MAKHTESHIM LTD. (IL) 2024-01-18 WO claimed
US-20230073874-A1 AGROCHEMICAL COMPOSITION OF TRIAZOLES ADAMA MAKHTESHIM LTD. (IL) 2023-03-09 US claimed
EP-4096407-A1 AGROCHEMICAL COMPOSITION OF TRIAZOLES Adama Makhteshim Ltd. (IL) 2022-12-07 EP claimed
CN-115297728-A Agrochemical compositions of triazoles 阿达玛马克西姆有限公司 2022-11-04 CN claimed
WO-2021152509-A1 AGROCHEMICAL COMPOSITION OF TRIAZOLES ADAMA MAKHTESHIM LTD. (IL) 2021-08-05 WO claimed
US-10562991-B2 Developer, pattern forming method, and electronic device manufacturing method FUJIFILM CORPORATION (JP) 2020-02-18 US claimed
US-20050282878-A1 Process for the purification of fluconazole GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-12-22 US claimed
US-6706216-B1 REACTION PRODUCT OF CATALYTIC REDUCTIVE ALKYLATION OF P-PHENYLENEDIAMINE OR DERIVATIVE WITH ACETONE AND SECOND CARBONYL COMPOUND UNIROYAL CHEMICAL COMPANY, INC. 2004-03-16 US claimed
US-6706217-B2 OBTAINED FROM THE REACTION OF A PARAPHENYLENEDIAMINE COMPOUND WITH ACETONE AND AT LEAST ONE OF KETONES AND ALDEHYDES, USING A REDUCTIVE ALKYLATION CATALYST UNIROYAL CHEMICAL COMPANY, INC. 2004-03-16 US claimed
CN-1425037-A Liquid antiozonants and rubber compositions containing them UNIROYAL CHEM CO INC (US) 2003-06-18 CN claimed
EP-1276804-A1 LIQUID ANTIOZONANTS AND RUBBER COMPOSITIONS CONTAINING SAME Uniroyal Chemical Company, Inc. (US) 2003-01-22 EP claimed
US-20020061946-A1 Liquid antiozonants and rubber compositions containing same ADDIVANT USA, LLC 2002-05-23 US claimed
WO-2001081459-A1 LIQUID ANTIOZONANTS AND RUBBER COMPOSITIONS CONTAINING SAME UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-11-01 WO claimed
EP-0535057-A1 PROCESS FOR THE PREPARATION OF KETOXIMES EASTMAN CHEMICAL COMPANY (US) 1993-04-07 EP claimed
WO-1991018867-A1 PROCESS FOR THE PREPARATION OF KETOXIMES EASTMAN KODAK COMPANY (US) 1991-12-12 WO claimed
US-4111928-A METHOD OF SEPARATING LIGNIN AND MAKING EPOXIDE-LIGNIN HOLSOPPLE DALE B 1978-09-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20230073874-A1 AGROCHEMICAL COMPOSITION OF TRIAZOLES CBR3, CYP51A1, CYP1B1 CA1 1927/4885CES2 697/4885CES1 305/4885
US-20050282878-A1 Process for the purification of fluconazole ERG28, CYP51A1, MAN2B1 CA1 1115/4885CES2 811/4885CES1 1041/4885
US-20260026501-A1 AGROCHEMICAL COMPOSITION OF SDHI FUNGICIDES SDHA, SQOR, SDHB CA1 4165/4885CES2 1318/4885CES1 865/4885
US-20260076371-A1 AGROCHEMICAL COMPOSITION OF TRIAZOLES CYP51A1, CYP4F3, CYP4B1 CA1 2697/4885CES2 790/4885CES1 163/4885

“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.