SCHEMBL5706273

SCHEMBL5706273

CC(C(=O)O)(C1=CCCCCCCCC1)C(C1=CCCCCCCCC1)C1=CCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL873077 1.00 ALDH1A1 (0.31) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL1468464 0.76 SMN1; SMN2 (0.31) HDAC4HDAC2HDAC8HDAC6
SCHEMBL5159268 0.74 HDAC3 (0.32) HDAC4HDAC2HDAC8HDAC6
SCHEMBL9458910 0.73 HDAC4 (0.37) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL15975034 0.73 HDAC4 (0.37) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL11129906 0.73 HDAC4 (0.30) HDAC4HDAC2HDAC8HDAC6
SCHEMBL6555849 0.72 HDAC4 (0.34) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL1491166 0.72 HDAC4 (0.34) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL634692 0.71 HDAC4 (0.38) ALDH1A1HDAC4HDAC2HDAC8HDAC6
SCHEMBL11138198 0.71 HDAC4 (0.38) ALDH1A1HDAC4HDAC2HDAC8HDAC6

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4255208-B1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS VOYAGE FOODS INC (US) 2024-12-25 EP claimed
EP-2673345-B1 USE OF LIQUID COMPOSITIONS FOR MARKING LIQUID HYDROCARBON-BASED FUELS AND COMBUSTIBLES, AND PROCESS FOR DETECTING THE MARKERS TOTAL RAFFINAGE MARKETING (FR) 2018-11-07 EP claimed
EP-1417372-B1 FRAGRANCE COMPOSITIONS FOR CO2 DRY CLEANING PROCESS SYMRISE GMBH & CO KG (DE) 2006-09-27 EP claimed
EP-1029032-B1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX CONTAINING FABRICS UNILEVER PLC (GB) 2004-03-03 EP claimed
WO-2022124003-A1 FRAGRANCE COMPOSITION 花王株式会社 2022-06-16 WO disclosed
WO-2022102465-A1 ALDEHYDE COMPOSITION 三菱瓦斯化学株式会社 2022-05-19 WO disclosed
WO-2022085670-A1 ALICYCLIC ALCOHOL, ALICYCLIC ALCOHOL COMPOSITION, AND PERFUME COMPOSITION 三菱瓦斯化学株式会社 2022-04-28 WO disclosed
WO-2021132211-A1 ISOBUTYRATE ESTER COMPOUND HAVING CARBONATE GROUP AT α-POSITION, AND FRAGRANCE COMPOSITION 三菱瓦斯化学株式会社 2021-07-01 WO disclosed
WO-2021132214-A1 α-HYDROXYISOBUTYRIC ACID ESTER COMPOUND AND FRAGRANCE COMPOSITION 三菱瓦斯化学株式会社 2021-07-01 WO disclosed
WO-2021075517-A1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION 三菱瓦斯化学株式会社 2021-04-22 WO disclosed
EP-2690086-B1 CARBOXYLIC ACID ESTER COMPOUND, METHOD FOR PRODUCING THE COMPOUND, AND FRAGRANCE COMPOSITION COMPRISING THE COMPOUND MITSUBISHI GAS CHEMICAL CO (JP) 2015-12-30 EP disclosed
US-9156774-B2 Carboxylic acid ester compound and method for producing same, and fragrance composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-10-13 US disclosed
US-20140087990-A1 NOVEL CARBOXYLIC ACID ESTER COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL, INC. (JP) 2014-03-27 US disclosed
EP-2690086-A1 NOVEL CARBOXYLIC ACID ESTER COMPOUND, METHOD FOR PRODUCING SAME, AND FRAGRANT COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2014-01-29 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 (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-20140087990-A1 NOVEL CARBOXYLIC ACID ESTER COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION AFF4, FAR1, AFF2 ALDH1A1 359/4885HDAC4 543/4885HDAC2 424/4885

“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.