SCHEMBL24035002

SCHEMBL24035002

CC(C)c1cccc(CCCC(C)S(=O)(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MDM4 O15151 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 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
SCHEMBL23322319 0.82 LPL (0.48) —
SCHEMBL10066444 0.81 FDFT1 (0.55) FDFT1
SCHEMBL10613686 0.81 GRIK1 (0.47) SMN1; SMN2ALDH1A1HPGDHDAC4HDAC2
SCHEMBL23322456 0.81 GRIK1 (0.47) SMN1; SMN2ALDH1A1HPGDHDAC4HDAC2
SCHEMBL18025549 0.79 CYP4F2 (0.46) SMN1; SMN2KDM4EMDM4ALDH1A1CA1
SCHEMBL688510 0.78 BCHE (0.43) SMN1; SMN2KDM4EMDM4ALDH1A1CA1
SCHEMBL10066434 0.78 FDFT1 (0.59) FDFT1
SCHEMBL10066437 0.78 FDFT1 (0.59) FDFT1
SCHEMBL13703005 0.78 CYP4F2 (0.50) SMN1; SMN2KDM4EMDM4ALDH1A1CA1
SCHEMBL688319 0.77 BCHE (0.42) SMN1; SMN2KDM4EMDM4ALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210352945-A1 OLIGOSACCHARIDE COMPOSITIONS FOR USE IN NUTRITIONAL COMPOSITIONS, AND METHODS OF PRODUCING THEREOF HERCULES CAPITAL, INC. 2021-11-18 — — 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-20210352945-A1 OLIGOSACCHARIDE COMPOSITIONS FOR USE IN NUTRITIONAL COMPOSITIONS, AND METHODS OF PRODUCING THEREOF OSTC, FUT5, FUT6 SMN1; SMN2 2253/4885KDM4E 4827/4885MDM4 4086/4885

“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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