SCHEMBL31566066

SCHEMBL31566066

CC(C)(C)OC(=O)NCC(=O)N1CCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NR1H2 P55055 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ FNTA P49354 2/20 0.41
▸ FNTB P49356 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ LIPE Q05469 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL25428445 0.88 ALDH1A1 (0.41) GHSRALDH1A1L3MBTL1NR1H2HDAC8
SCHEMBL30519124 0.88 ALDH1A1 (0.41) GHSRALDH1A1L3MBTL1NR1H2HDAC8
SCHEMBL31565830 0.87 ALDH1A1 (0.47) GHSRALDH1A1L3MBTL1SCN9AESR2
SCHEMBL31566040 0.86 ALDH1A1 (0.46) GHSRALDH1A1L3MBTL1SCN9AESR2
SCHEMBL31566054 0.86 ALDH1A1 (0.46) GHSRALDH1A1L3MBTL1SCN9AESR2
SCHEMBL31565905 0.85 ALDH1A1 (0.45) GHSRALDH1A1L3MBTL1SCN9AESR2
SCHEMBL31565927 0.84 ALDH1A1 (0.45) GHSRALDH1A1L3MBTL1SCN9AESR2
SCHEMBL30519086 0.84 NR1H2 (0.61) GHSRNR1H2ESR2ESR1LIPE
SCHEMBL25430802 0.84 NR1H2 (0.61) GHSRNR1H2ESR2ESR1LIPE
SCHEMBL31565855 0.83 ALDH1A1 (0.45) GHSRALDH1A1L3MBTL1SCN9AESR2

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-20250129028-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2025-04-24 — — 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-20250129028-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR YAP1, YES1, LATS1 GHSR 223/4885ALDH1A1 2760/4885L3MBTL1 1076/4885

“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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