SCHEMBL31566006

SCHEMBL31566006

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ LIPE Q05469 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ABHD6 Q9BV23 1/20 0.40
▸ GHSR Q92847 1/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ ABCC1 P33527 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
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HRH3 Q9Y5N1 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
SCHEMBL31565853 0.88 ESR1 (0.45) ESR1ESR2KMT2ALIPEKDM4E
SCHEMBL31565857 0.87 LIPE (0.45) ESR1ESR2KMT2ALIPEKDM4E
SCHEMBL31565924 0.86 S1PR1 (0.45) ESR1ESR2KMT2ALIPEKDM4E
SCHEMBL31565889 0.86 ESR1 (0.47) ESR1ESR2KMT2ALIPEABHD6
SCHEMBL31565831 0.86 ESR1 (0.43) ESR1ESR2KMT2ALIPEKDM4E
SCHEMBL31566079 0.86 KDM4E (0.44) ESR1ESR2KMT2ALIPEKDM4E
SCHEMBL25968671 0.86 ESR1 (0.43) ESR1ESR2KMT2ALIPEKDM4E
SCHEMBL31565946 0.85 ESR1 (0.47) ESR1ESR2KMT2ALIPEKDM4E
SCHEMBL31565864 0.85 S1PR1 (0.46) ESR1ESR2KMT2ALIPEKDM4E
SCHEMBL31565933 0.85 ALDH1A1 (0.47) ESR1ESR2KMT2ALIPEKDM4E

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 ESR1 998/4885ESR2 797/4885NPSR1 1059/4885

“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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