SCHEMBL26816768

SCHEMBL26816768

CC(=O)C1CCC(c2cccc(C(C)C)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.43
▸ MGLL Q99685 6/20 0.42
▸ ADAM10 O14672 3/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PRKG1 Q13976 1/20 0.41
▸ ERBB2 P04626 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CA5A P35218 1/20 0.39

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
SCHEMBL23380258 0.88 NOTUM (0.52) NOTUMMGLLADAM10MMP2ROCK2
SCHEMBL15566600 0.85 HTR2C (0.43) NOTUMMGLLADAM10MMP2ERBB2
SCHEMBL25619706 0.81 MGLL (0.38) NOTUMMGLLADAM10MMP2ROCK2
SCHEMBL5670914 0.79 QDPR (0.57) NOTUMADAM10MMP2ERBB2SOS1
SCHEMBL6388862 0.79 ESR2 (0.43) NOTUMMGLLADAM10MMP2ERBB2
SCHEMBL7634263 0.79 HDAC4 (0.47) ADAM10MMP2ERBB2KDM4EMDM4
SCHEMBL27754753 0.78 KMO (0.42) NOTUMROCK2PRKG1KDM4EALDH1A1
SCHEMBL25996817 0.77 SOS1 (0.36) NOTUMMGLLADAM10MMP2ROCK2
SCHEMBL5667630 0.77 KMO (0.49) ADAM10MMP2ROCK2ERBB2KDM4E
SCHEMBL23381188 0.77 NOTUM (0.50) NOTUMMGLLADAM10MMP2ERBB2

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 NOTUM 2359/4885MGLL 356/4885ADAM10 4288/4885

“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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