SCHEMBL31566092

SCHEMBL31566092

N#CCCC(=O)N1CCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 1/20 0.43
▸ LIPE Q05469 1/20 0.42
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ DPP4 P27487 3/20 0.41
▸ DPP8 Q6V1X1 3/20 0.41
▸ S1PR1 P21453 5/20 0.40
▸ MAPT P10636 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ KDM4E B2RXH2 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
▸ KMT2A Q03164 1/20 0.39
▸ CNR1 P21554 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
SCHEMBL31565857 0.87 LIPE (0.45) FAPLIPEESR1ESR2S1PR1
SCHEMBL31565924 0.86 S1PR1 (0.45) LIPEESR1ESR2S1PR1KDM4E
SCHEMBL31565853 0.85 ESR1 (0.45) LIPEESR1ESR2DPP7KDM4E
SCHEMBL31565946 0.85 ESR1 (0.47) FAPLIPEESR1ESR2KDM4E
SCHEMBL31565864 0.85 S1PR1 (0.46) LIPEESR1ESR2S1PR1KDM4E
SCHEMBL31565836 0.84 KDM4E (0.44) FAPLIPEESR1ESR2KDM4E
SCHEMBL31565889 0.84 ESR1 (0.47) LIPEESR1ESR2MAPTDPP7
SCHEMBL31566006 0.84 ESR1 (0.43) LIPEESR1ESR2MAPTKDM4E
SCHEMBL31565953 0.84 ALDH1A1 (0.43) FAPLIPEESR1ESR2KDM4E
SCHEMBL31566079 0.84 KDM4E (0.44) LIPEESR1ESR2DPP4DPP8

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 FAP 2858/4885LIPE 4593/4885ESR1 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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