SCHEMBL3776571

SCHEMBL3776571

O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLCO2B1 O94956 5/20 0.65
▸ CYP2C9 P11712 4/20 0.65
▸ CYP3A4 P08684 4/20 0.65
▸ ALOX15 P16050 4/20 0.65
▸ SLCO1B3 Q9NPD5 4/20 0.65
▸ SLCO1B1 Q9Y6L6 4/20 0.65
▸ MAPT P10636 3/20 0.65
▸ HSD17B10 Q99714 3/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ HPGD P15428 2/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ ALOX12 P18054 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ GAA P10253 2/20 0.65
▸ HIF1A Q16665 2/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ F2 P00734 1/20 0.65
▸ PLAU P00749 1/20 0.65
▸ TP53 P04637 1/20 0.65

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
SCHEMBL13010127 1.00 SLCO2B1 (0.65) SLCO2B1CYP2C9CYP3A4ALOX15SLCO1B3
SCHEMBL29625608 1.00 SLCO2B1 (0.65) SLCO2B1CYP2C9CYP3A4ALOX15SLCO1B3
SCHEMBL30566310 0.86 CYP3A4 (0.61) SLCO2B1CYP2C9CYP3A4ALOX15SLCO1B3
SCHEMBL29369929 0.85 SLCO2B1 (0.69) SLCO2B1MAPTHPGDKDM4EGAA
SCHEMBL27161054 0.85 SLCO2B1 (0.69) SLCO2B1MAPTHPGDKDM4EGAA
SCHEMBL31322137 0.84 CYP3A4 (0.62) SLCO2B1CYP2C9CYP3A4ALOX15SLCO1B3
SCHEMBL1067945 0.81 P4HB (0.76) SLCO2B1CYP2C9CYP3A4ALOX15SLCO1B3
SCHEMBL31140190 0.81 P4HB (0.76) SLCO2B1CYP2C9CYP3A4ALOX15SLCO1B3
SCHEMBL17363971 0.81 P4HB (0.76) SLCO2B1CYP2C9CYP3A4ALOX15SLCO1B3
SCHEMBL30668673 0.81 P4HB (0.76) SLCO2B1CYP2C9CYP3A4ALOX15SLCO1B3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2214688-B1 MANAGEMENT AND TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CSIR (ZA) 2018-09-05 — — EP disclosed
US-9061023-B2 Management and treatment of benign prostatic hyperplasia CSIR (ZA) 2015-06-23 — — US disclosed
US-20100316748-A1 MANAGEMENT AND TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CSIR (ZA) 2010-12-16 — — 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-20100316748-A1 MANAGEMENT AND TREATMENT OF BENIGN PROSTATIC HYPERPLASIA BPHL, CYP17A1, CYP46A1 SLCO2B1 3451/4885CYP2C9 623/4885CYP3A4 227/4885

“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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