SCHEMBL26816772

SCHEMBL26816772

C=C(O)C1CC(c2cccc(C(C)C)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.42
▸ F2R P25116 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MDM4 O15151 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TYR P14679 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HDAC4 P56524 1/20 0.37

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
SCHEMBL23381188 0.84 NOTUM (0.50) MGLLF2RNOTUMKDM4EMDM4
SCHEMBL15566600 0.76 HTR2C (0.43) MGLLNOTUMATML3MBTL1KDM4E
SCHEMBL29936007 0.74 F2R (0.42) MGLLF2RATML3MBTL1KDM4E
SCHEMBL23857839 0.74 F2R (0.42) MGLLF2RATML3MBTL1KDM4E
SCHEMBL23380258 0.74 NOTUM (0.52) MGLLF2RNOTUMKDM4EMDM4
SCHEMBL25619706 0.74 MGLL (0.38) MGLLF2RNOTUMATML3MBTL1
SCHEMBL25016710 0.73 SOS1 (0.40) MGLLF2RNOTUMKDM4EMDM4
SCHEMBL7634263 0.73 HDAC4 (0.47) L3MBTL1KDM4EMDM4ALDH1A1CA1
SCHEMBL25996817 0.73 SOS1 (0.36) MGLLNOTUMATML3MBTL1KDM4E
SCHEMBL5667630 0.71 KMO (0.49) KDM4EMDM4ALDH1A1CA1CA2

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-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 — — 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-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 MGLL 356/4885F2R 814/4885NOTUM 2359/4885

“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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