SCHEMBL27057660

SCHEMBL27057660

CPC12CCC(PC)(N1)C1CC(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)CC12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ CHRM2 P08172 2/20 0.43
▸ CHRM4 P08173 2/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ CHRM3 P20309 2/20 0.43
▸ HTR3E A5X5Y0 2/20 0.43
▸ HTR3B O95264 2/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ HTR3D Q70Z44 2/20 0.43
▸ HTR3C Q8WXA8 2/20 0.43
▸ CHRNA7 P36544 2/20 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
SCHEMBL27107862 0.83 GAA (0.42) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL27058460 0.82 GAA (0.45) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL27057307 0.80 HTR3E (0.44) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL27057579 0.80 GAA (0.54) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL27057357 0.77 GAA (0.50) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL27057377 0.77 GAA (0.42) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL27058520 0.77 GAA (0.45) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL27052345 0.75 GAA (0.48) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL24278797 0.75 CHRM2 (0.46) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL25755384 0.75 CHRM2 (0.46) GAACHRM2CHRM4CHRM1CHRM3

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-20240067763-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMERIZATION METHOD, AND PROPYLENE POLYMER MITSUI CHEMICALS, INC. (JP) 2024-02-29 — — 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 GAA 4343/4885CHRM2 803/4885CHRM4 546/4885

“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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