SCHEMBL29307606

SCHEMBL29307606

CC(C)CCOC(=O)C1O[C@@H](O)C(O)[C@@H](O)[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.38
▸ CAPN1 P07384 6/20 0.36
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ AHCY P23526 1/20 0.33
▸ CTSL P07711 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSG P08311 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ LGALS3 P17931 1/20 0.31
▸ PKM P14618 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL27104270 0.89 CAPN1 (0.34) PPARGCAPN1AHCYCTSLLMNA
SCHEMBL21943698 0.83 AHCY (0.44) AHCYLGALS3ALDH1A1
SCHEMBL6666772 0.81 PPM1B (0.41) AHCYALDH1A1
SCHEMBL27766467 0.79 AHCY (0.45) AHCYLMNAALDH1A1
SCHEMBL14317077 0.79 AHCY (0.45) AHCYLMNAALDH1A1
SCHEMBL2189191 0.78 TSHR (0.45) CAPN1CTSLLMNACTSBCTSG
SCHEMBL2189182 0.78 TSHR (0.45) CAPN1CTSLLMNACTSBCTSG
SCHEMBL9436540 0.77 PPARG (0.39) PPARGCAPN1CA12CA1CA2
SCHEMBL9436539 0.77 PPARG (0.39) PPARGCAPN1CA12CA1CA2
SCHEMBL21121284 0.76 NAAA (0.43) PPARGAHCYMAPK1

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-12037378-B2 Variant CD58 domains and uses thereof NOVARTIS AG (CH) 2024-07-16 — — 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-12037378-B2 Variant CD58 domains and uses thereof CD2, CD58, CD2BP2 PPARG 4780/4885CAPN1 2140/4885CA12 1486/4885

“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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