SCHEMBL6125223

SCHEMBL6125223

CC(C)CCC1=C(O)C(O)(CCC(C)C)C(=O)C(C(=O)CC(C)C)=C1O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ AKR1B10 O60218 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ FASN P49327 3/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ PTGES O14684 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
SCHEMBL6125216 1.00 ALOX5 (0.54) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL5967546 1.00 ALOX5 (0.54) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL6128445 0.89 ALOX5 (0.54) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL26468535 0.86 ALOX5 (0.48) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL14642715 0.85 ALOX5 (0.44) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL15198933 0.84 ALOX5 (0.78) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL26468543 0.83 ALOX5 (0.38) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL26468541 0.78 FASN (0.41) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL22702965 0.78 ALOX5 (0.43) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL26468550 0.75 DHODH (0.34) ALOX5KDM4EMEN1AKR1B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138884-A1 HUMULUS SPECIES AS INDUSTRIAL CHEMICAL FEEDSTOCKS P2 SCIENCE, INC. 2023-05-04 — — US disclosed
US-20230138884-A1 HUMULUS SPECIES AS INDUSTRIAL CHEMICAL FEEDSTOCKS P2 SCIENCE, INC. 2023-05-04 — — US disclosed
US-8829056-B2 Cis 3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbutyl)-4-(4-methylpentanoyl) cyclopent-2-en-1-one derivatives, substantially enantiomerically pure compositions and methods KINDEX PHARMACEUTICALS, INC. (US) 2014-09-09 — — US disclosed
US-8829056-B2 Cis 3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbutyl)-4-(4-methylpentanoyl) cyclopent-2-en-1-one derivatives, substantially enantiomerically pure compositions and methods KINDEX PHARMACEUTICALS, INC. (US) 2014-09-09 — — US disclosed
US-20130217781-A1 CIS 3,4-DIHYDROXY-2-(3-METHYLBUTANOYL)-5-(3-METHYLBUTYL)-4-(4-METHYLPENTANOYL)CYCLOPENT-2-EN-1-ONE DERIVATIVES, SUBSTANTIALLY ENANTIOMERICALLY PURE COMPOSITIONS AND METHODS KINDEX THERAPEUTICS, LLC (US) 2013-08-22 — — US disclosed
US-20130217781-A1 CIS 3,4-DIHYDROXY-2-(3-METHYLBUTANOYL)-5-(3-METHYLBUTYL)-4-(4-METHYLPENTANOYL)CYCLOPENT-2-EN-1-ONE DERIVATIVES, SUBSTANTIALLY ENANTIOMERICALLY PURE COMPOSITIONS AND METHODS KINDEX THERAPEUTICS, LLC (US) 2013-08-22 — — US disclosed
US-8410178-B2 CIS 3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbutyl)-4-(4-methylpentanoyl)cyclopent-2-en-1-derivatives, substantially enantiomerically pure compositions and methods KINDEX THERAPEUTICS, LLC (US) 2013-04-02 — — US disclosed
US-8410179-B2 Cis, 3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbutyl)-4-(4-methylpentanoyl)cyclopent-2-en-1-derivatives, substantially enantiomerically pure compositions and methods KINDEX THERAPEUTICS, LLC (US) 2013-04-02 — — US disclosed
US-20130018105-A1 CIS, 3,4-DIHYDROXY-2-(3-METHYLBUTANOYL)-5-(3-METHYLBUTYL)-4-(4-METHYLPENTANOYL)CYCLOPENT-2-EN-1-ONE DERIVATIVES, SUBSTANTIALLY ENANTIOMERICALLY PURE COMPOSITIONS AND METHODS KINDEX PHARMACEUTICALS, INC. 2013-01-17 — — US disclosed
US-20120108671-A1 CIS 3,4-DIHYDROXY-2-(3-METHYLBUTANOYL)-5-(3-METHYLBUTYL)-4-(4-METHYLPENTANOYL)CYCLOPENT-2-EN-1-ONE DERIVATIVES, SUBSTANTIALLY ENANTIOMERICALLY PURE COMPOSITIONS AND METHODS KINDEX PHARMACEUTICALS, INC. 2012-05-03 — — 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 (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-20130217781-A1 CIS 3,4-DIHYDROXY-2-(3-METHYLBUTANOYL)-5-(3-METHYLBUTYL)-4-(4-METHYLPENTANOYL)CYCLOPENT-2-EN-1-ONE DERIVATIVES, SUBSTANTIALLY ENANTIOMERICALLY PURE COMPOSITIONS AND METHODS GPR119, FFAR3, FFAR1 ALOX5 501/4885KDM4E 2365/4885MEN1 4507/4885
US-20130018105-A1 CIS, 3,4-DIHYDROXY-2-(3-METHYLBUTANOYL)-5-(3-METHYLBUTYL)-4-(4-METHYLPENTANOYL)CYCLOPENT-2-EN-1-ONE DERIVATIVES, SUBSTANTIALLY ENANTIOMERICALLY PURE COMPOSITIONS AND METHODS GPR119, FFAR3, FFAR1 ALOX5 525/4885KDM4E 2244/4885MEN1 4443/4885
US-20230138884-A1 HUMULUS SPECIES AS INDUSTRIAL CHEMICAL FEEDSTOCKS LSS, HSD17B14, HARS1 ALOX5 664/4885KDM4E 3627/4885MEN1 4704/4885
US-20120108671-A1 CIS 3,4-DIHYDROXY-2-(3-METHYLBUTANOYL)-5-(3-METHYLBUTYL)-4-(4-METHYLPENTANOYL)CYCLOPENT-2-EN-1-ONE DERIVATIVES, SUBSTANTIALLY ENANTIOMERICALLY PURE COMPOSITIONS AND METHODS GPR119, FFAR3, FFAR1 ALOX5 501/4885KDM4E 2365/4885MEN1 4507/4885

“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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