SCHEMBL31565924

SCHEMBL31565924

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.45
▸ LIPE Q05469 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ESR1 P03372 2/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GHSR Q92847 1/20 0.40
▸ BRS3 P32247 1/20 0.40
▸ ABHD6 Q9BV23 1/20 0.40
▸ RYR2 Q92736 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
SCHEMBL31565946 0.90 ESR1 (0.47) LIPEHPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL31565864 0.90 S1PR1 (0.46) S1PR1LIPEHPGDTSHRSMN1; SMN2
SCHEMBL31565857 0.90 LIPE (0.45) S1PR1LIPEHPGDTSHRSMN1; SMN2
SCHEMBL31565853 0.88 ESR1 (0.45) LIPEHPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL31565836 0.87 KDM4E (0.44) LIPEHPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL31565889 0.87 ESR1 (0.47) LIPESMN1; SMN2ESR1ESR2KMT2A
SCHEMBL31566006 0.86 ESR1 (0.43) LIPEHPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL31566042 0.86 ALDH1A1 (0.45) LIPEHPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL31566079 0.86 KDM4E (0.44) S1PR1LIPEHPGDTSHRSMN1; SMN2
SCHEMBL31565831 0.86 ESR1 (0.43) LIPEHPGDTSHRSMN1; SMN2HSD17B10

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 S1PR1 3842/4885LIPE 4593/4885HPGD 977/4885

“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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