SCHEMBL21611781

SCHEMBL21611781

CCCc1ccc(C=CC(=O)OC)c(CCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ AKR1B10 O60218 4/20 0.41
▸ AKR1B1 P15121 4/20 0.41
▸ TTR P02766 1/20 0.40
▸ APP P05067 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40

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
SCHEMBL28333101 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL953832 0.81 PPARG (0.47) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL953833 0.81 PPARG (0.47) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL20255778 0.78 CYP1A2 (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL27554750 0.77 TUBB4A (0.44) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL4324686 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL4324689 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL17160002 0.75 CNR1 (0.40) ALDH1A1MAPTKMT2ATHRBCA2
SCHEMBL28448006 0.74 PPARA (0.44) CYP1A2AKR1B10AKR1B1THRB
SCHEMBL1685287 0.74 TRPV1 (0.54) ALDH1A1KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148625-A1 Estolide Esters For The Cosmetic Treatment Of Skin CLARIANT INTERNATIONAL LTD. (CH) 2024-05-09 — — US disclosed
EP-4255381-A1 ESTOLIDE ESTERS FOR THE COSMETIC TREATMENT OF SKIN Clariant International Ltd (CH) 2023-10-11 — — EP disclosed
US-11753379-B2 Process for forming 2-hydroxypyridine-1-oxide or derivatives thereof CLARIANT INTERNATIONAL LTD (CH) 2023-09-12 — — US disclosed
WO-2022122719-A1 ESTOLIDE ESTERS FOR THE COSMETIC TREATMENT OF SKIN CLARIANT INTERNATIONAL LTD (CH) 2022-06-16 — — WO disclosed
EP-4008406-A1 COSMETIC COMPOSITION BASED ON ACROYL TAURATE TYPE POLYMERS Clariant International Ltd (CH) 2022-06-08 — — EP disclosed
US-20210290514-A1 An Antimicrobial Combination Composition Comprising Glycerol Derivatives and Bicyclic Compounds SACHEM EUROPE B.V. (NL) 2021-09-23 — — US disclosed
US-20210214307-A1 PROCESS FOR FORMING 2-HYDROXYPYRIDINE-1-OXIDE OR DERIVATIVES THEREOF CLARIANT INTERNATIONAL LTD. (CH) 2021-07-15 — — US disclosed
CN-112955113-A Antimicrobial binding compositions comprising glycerol derivatives and bicyclic compounds 科莱恩国际有限公司 2021-06-11 — — CN disclosed
EP-3817712-A1 AN ANTIMICROBIAL COMBINATION COMPOSITION COMPRISING GLYCEROL DERIVATIVES AND BICYCLIC COMPOUNDS Clariant International Ltd (CH) 2021-05-12 — — EP disclosed
EP-3802494-A1 PROCESS FOR FORMING 2-HYDROXYPYRIDINE-1-OXIDE OR DERIVATIVES THEREOF Clariant International Ltd (CH) 2021-04-14 — — EP disclosed
CN-112351970-A Method for forming 2-hydroxypyridine-1-oxide or derivative thereof 科莱恩国际有限公司 2021-02-09 — — CN disclosed
WO-2020007571-A1 AN ANTIMICROBIAL COMBINATION COMPOSITION COMPRISING GLYCEROL DERIVATIVES AND BICYCLIC COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2020-01-09 — — WO disclosed
CN-110520100-A The manufacturing method of ultraviolet protection overlay film KAO CORP 2019-11-29 — — CN 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 (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-20210290514-A1 An Antimicrobial Combination Composition Comprising Glycerol Derivatives and Bicyclic Compounds GK, MGLL, UGCG ALDH1A1 2208/4885KDM4E 4429/4885MAPT 2993/4885
US-20210214307-A1 PROCESS FOR FORMING 2-HYDROXYPYRIDINE-1-OXIDE OR DERIVATIVES THEREOF HMOX2, HMOX1, HPD ALDH1A1 58/4885KDM4E 2073/4885MAPT 4348/4885
US-20240148625-A1 Estolide Esters For The Cosmetic Treatment Of Skin CUTA, ASAH2, PPT1 ALDH1A1 535/4885KDM4E 4314/4885MAPT 4306/4885
US-11753379-B2 Process for forming 2-hydroxypyridine-1-oxide or derivatives thereof HMOX2, HMOX1, HPD ALDH1A1 58/4885KDM4E 2073/4885MAPT 4348/4885

“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.

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