SCHEMBL27053572

SCHEMBL27053572

O=C(O[C@@H]1C2CC(C3CCCC32)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.51
▸ CHRM4 P08173 2/20 0.51
▸ CHRM1 P11229 2/20 0.51
▸ CHRM3 P20309 2/20 0.51
▸ CHRNA7 P36544 3/20 0.50
▸ HTR3E A5X5Y0 1/20 0.48
▸ HTR3B O95264 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ HTR3D Q70Z44 1/20 0.48
▸ HTR3C Q8WXA8 1/20 0.48
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL25797911 1.00 CHRM2 (0.51) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL27052161 0.97 CHRNA7 (0.50) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL27052534 0.93 OPRM1 (0.51) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL27052174 0.92 OPRM1 (0.50) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL27052532 0.92 OPRM1 (0.53) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL24282192 0.90 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL27105531 0.90 OPRM1 (0.51) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL27052171 0.88 OPRM1 (0.53) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL27052176 0.86 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL24278628 0.84 SCN1A (0.50) CHRM2CHRM4CHRM1CHRM3MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025838-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-01-25 — — US disclosed
US-20240025838-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-01-25 — — 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-20240025838-A1 ESTER COMPOUND NR1H3, CYP4A11, H1-4 CHRM2 803/4885CHRM4 546/4885CHRM1 393/4885

“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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