SCHEMBL31565843

SCHEMBL31565843

CN(C)CCCC(=O)N1CCc2ccc(Oc3ccc(C(F)(F)F)c(F)c3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 2/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ SIGMAR1 Q99720 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
▸ HRH3 Q9Y5N1 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ F10 P00742 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HSP90B1 P14625 1/20 0.38

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
SCHEMBL31566026 0.95 ABHD6 (0.44) ABHD6MGLLESR1ESR2KDM4E
SCHEMBL31566113 0.86 ALDH1A1 (0.45) ABHD6ESR1ESR2KDM4EHPGD
SCHEMBL31566102 0.86 ALDH1A1 (0.45) ABHD6ESR1ESR2KDM4EHPGD
SCHEMBL25428585 0.85 HRH3 (0.43) ABHD6MGLLESR1ESR2KDM4E
SCHEMBL30519168 0.85 HRH3 (0.43) ABHD6MGLLESR1ESR2KDM4E
SCHEMBL25429255 0.84 ESR1 (0.42) ABHD6ESR1ESR2HRH3F10
SCHEMBL30519194 0.84 ESR1 (0.42) ABHD6ESR1ESR2HRH3F10
SCHEMBL31565832 0.84 TSHR (0.46) ESR1ESR2KDM4ETSHRHSD17B10
SCHEMBL31565932 0.84 ALDH1A1 (0.47) ABHD6ESR1ESR2KDM4EHPGD
SCHEMBL31565996 0.84 KDM4E (0.40) ABHD6ESR1ESR2KDM4EHPGD

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 ABHD6 3095/4885MGLL 4778/4885ESR1 998/4885

“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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