SCHEMBL31565933

SCHEMBL31565933

CCS(=O)(=O)CCC(=O)N1CCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ ESR1 P03372 2/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ LIPE Q05469 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GHSR Q92847 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ ABHD6 Q9BV23 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 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
SCHEMBL31565831 0.91 ESR1 (0.43) ALDH1A1ESR1ESR2KMT2ALIPE
SCHEMBL25968671 0.91 ESR1 (0.43) ALDH1A1ESR1ESR2KMT2ALIPE
SCHEMBL31566042 0.89 ALDH1A1 (0.45) ALDH1A1ESR1ESR2KMT2ALIPE
SCHEMBL31565953 0.89 ALDH1A1 (0.43) ALDH1A1ESR1ESR2KMT2ALIPE
SCHEMBL31565853 0.89 ESR1 (0.45) ESR1ESR2KMT2ALIPEKDM4E
SCHEMBL31566053 0.88 ESR1 (0.43) ALDH1A1ESR1ESR2KMT2ALIPE
SCHEMBL31565889 0.87 ESR1 (0.47) ALDH1A1ESR1ESR2KMT2ALIPE
SCHEMBL31565857 0.86 LIPE (0.45) ALDH1A1ESR1ESR2KMT2ALIPE
SCHEMBL31565924 0.85 S1PR1 (0.45) ALDH1A1ESR1ESR2KMT2ALIPE
SCHEMBL31566079 0.85 KDM4E (0.44) ALDH1A1ESR1ESR2KMT2ALIPE

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 ALDH1A1 2760/4885ESR1 998/4885ESR2 797/4885

“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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