SCHEMBL27063112

SCHEMBL27063112

CN(C)c1ccc(C(=O)O[C@@H]2C3CC(c4ccccc43)[C@@H]2OC(=O)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.47
▸ MAPT P10636 6/20 0.47
▸ HPGD P15428 5/20 0.47
▸ RAB9A P51151 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ KDM4E B2RXH2 6/20 0.41
▸ ABCB1 P08183 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL25796473 1.00 ALDH1A1 (0.47) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL27053494 0.95 ABCB1 (0.47) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL25755273 0.84 ABCB1 (0.50) ALDH1A1MAPTRAB9ANPC1ABCB1
SCHEMBL24278598 0.84 ABCB1 (0.50) ALDH1A1MAPTRAB9ANPC1ABCB1
SCHEMBL27105309 0.84 ABCB1 (0.50) ALDH1A1MAPTRAB9ANPC1ABCB1
SCHEMBL25796830 0.83 CHRNA7 (0.49) GAATSHRKMT2AMEN1
SCHEMBL25755225 0.83 CHRNA7 (0.49) GAATSHRKMT2AMEN1
SCHEMBL24278683 0.83 CHRNA7 (0.49) GAATSHRKMT2AMEN1
SCHEMBL25796848 0.83 CHRNA7 (0.49) GAATSHRKMT2AMEN1
SCHEMBL27053452 0.83 CHRNA7 (0.49) GAATSHRKMT2AMEN1

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 ALDH1A1 650/4885MAPT 4458/4885HPGD 3003/4885

“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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