SCHEMBL27058566

SCHEMBL27058566

CPC12CCC(PC)(C1)C1C3NC(C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)C12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ CHRNA7 P36544 2/20 0.40
▸ HTR3E A5X5Y0 2/20 0.39
▸ HTR3B O95264 2/20 0.39
▸ HTR3A P46098 2/20 0.39
▸ HTR3D Q70Z44 2/20 0.39
▸ HTR3C Q8WXA8 2/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL27107054 0.84 GAA (0.40) GAACHRNA7HTR3EHTR3BHTR3A
SCHEMBL27058565 0.81 GAA (0.48) GAACHRNA7HTR3EHTR3BHTR3A
SCHEMBL27057307 0.78 HTR3E (0.44) GAACHRNA7HTR3EHTR3BHTR3A
SCHEMBL27058202 0.75 GAA (0.38) GAACHRNA7HTR3EHTR3BHTR3A
SCHEMBL27059669 0.75 GAA (0.38) GAACHRNA7HTR3EHTR3BHTR3A
SCHEMBL27106974 0.74 GAA (0.41) GAACHRNA7HTR3EHTR3BHTR3A
SCHEMBL27058653 0.74 GAA (0.44) GAACHRNA7HTR3EHTR3BHTR3A
SCHEMBL27058654 0.74 GAA (0.47) GAACHRNA7HTR3EHTR3BHTR3A
SCHEMBL27056012 0.74 GAA (0.47) GAACHRNA7HTR3EHTR3BHTR3A
SCHEMBL27106975 0.73 GAA (0.43) GAACHRNA7HTR3EHTR3BHTR3A

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 4343/4885CHRNA7 3219/4885HTR3E 1981/4885

“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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