SCHEMBL27052109

SCHEMBL27052109

COc1ccc(C(=O)OC2C3CC(c4ccccc43)C2OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.47
▸ GAA P10253 2/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SCN1A P35498 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL27105312 1.00 NPSR1 (0.47) NPSR1GAAABCB1CA1CA2
SCHEMBL27053482 1.00 NPSR1 (0.47) NPSR1GAAABCB1CA1CA2
SCHEMBL25755310 0.95 GAA (0.49) GAACA1CA2NPC1RAB9A
SCHEMBL25796378 0.95 GAA (0.49) GAACA1CA2NPC1RAB9A
SCHEMBL25755312 0.95 GAA (0.49) GAACA1CA2NPC1RAB9A
SCHEMBL24278598 0.92 ABCB1 (0.50) GAAABCB1NPC1RAB9ACES2
SCHEMBL27105309 0.92 ABCB1 (0.50) GAAABCB1NPC1RAB9ACES2
SCHEMBL25755273 0.92 ABCB1 (0.50) GAAABCB1NPC1RAB9ACES2
SCHEMBL27105207 0.85 NPSR1 (0.50) NPSR1GAAABCB1CA1CA2
SCHEMBL27053494 0.83 ABCB1 (0.47) GAAABCB1NPC1RAB9AALDH1A1

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 NPSR1 1226/4885GAA 4343/4885ABCB1 2168/4885

“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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