SCHEMBL27061699

SCHEMBL27061699

CC12c3ccccc3C(C)(c3ccccc31)C(OC(=O)c1ccccc1)C2OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.51
▸ TSHR P16473 4/20 0.47
▸ LMNA P02545 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ F2 P00734 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CHRNA7 P36544 2/20 0.43
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ABCB1 P08183 2/20 0.40
▸ SLC6A3 Q01959 1/20 0.40

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
SCHEMBL27105330 1.00 GAA (0.51) GAATSHRLMNATDP1F2
SCHEMBL27053178 1.00 GAA (0.51) GAATSHRLMNATDP1F2
SCHEMBL27053536 0.91 GAA (0.44) GAATSHRLMNATDP1F2
SCHEMBL27053197 0.91 GAA (0.44) GAATSHRLMNATDP1F2
SCHEMBL27105259 0.89 GAA (0.43) GAATSHRLMNATDP1F2
SCHEMBL27053200 0.88 GAA (0.43) GAATSHRLMNATDP1F2
SCHEMBL27105254 0.87 GAA (0.42) GAATSHRLMNATDP1F2
SCHEMBL27105253 0.87 GAA (0.42) GAATSHRLMNATDP1F2
SCHEMBL27053518 0.87 GAA (0.42) GAATSHRLMNATDP1F2
SCHEMBL27053198 0.87 GAA (0.42) GAATSHRLMNATDP1KMT2A

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-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 4343/4885TSHR 1885/4885LMNA 2172/4885

“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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