SCHEMBL27052174

SCHEMBL27052174

O=C(OC1C2CCCC(C3CCCCC32)C1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ CHRM2 P08172 2/20 0.49
▸ CHRM4 P08173 2/20 0.49
▸ CHRM1 P11229 2/20 0.49
▸ CHRM3 P20309 2/20 0.49
▸ CHRNA7 P36544 2/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SLC18A3 Q16572 1/20 0.46
▸ HTR3E A5X5Y0 1/20 0.45
▸ HTR3B O95264 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ HTR3D Q70Z44 1/20 0.45
▸ HTR3C Q8WXA8 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ F2 P00734 1/20 0.44

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
SCHEMBL27052534 0.98 OPRM1 (0.51) OPRM1OPRD1CHRM2CHRM4CHRM1
SCHEMBL27105531 0.98 OPRM1 (0.51) OPRM1OPRD1CHRM2CHRM4CHRM1
SCHEMBL27052171 0.97 OPRM1 (0.53) OPRM1OPRD1CHRM2CHRM4CHRM1
SCHEMBL27052532 0.97 OPRM1 (0.53) OPRM1OPRD1CHRM2CHRM4CHRM1
SCHEMBL27052161 0.92 CHRNA7 (0.50) OPRM1OPRD1CHRM2CHRM4CHRM1
SCHEMBL27053572 0.92 CHRM2 (0.51) OPRM1OPRD1CHRM2CHRM4CHRM1
SCHEMBL25797911 0.92 CHRM2 (0.51) OPRM1OPRD1CHRM2CHRM4CHRM1
SCHEMBL27134137 0.84 CHRM2 (0.50) OPRM1OPRD1CHRM2CHRM4CHRM1
SCHEMBL27134149 0.83 CHRM2 (0.49) OPRM1OPRD1CHRM2CHRM4CHRM1
SCHEMBL24282192 0.82 CHRM2 (0.44) OPRM1OPRD1CHRM2CHRM4CHRM1

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 OPRM1 554/4885OPRD1 298/4885CHRM2 803/4885

“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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