SCHEMBL13555309

SCHEMBL13555309

C[C@H]1C(=O)OC2C[C@](C)(O)C(=O)C[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.37
▸ ICAM1 P05362 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ TAS2R46 P59540 2/20 0.33
▸ CYP3A4 P08684 4/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ PTPN1 P18031 1/20 0.31

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
SCHEMBL13555454 1.00 RECQL (0.37) RECQLICAM1ATMCYP19A1TAS2R46
SCHEMBL16687626 1.00 RECQL (0.37) RECQLICAM1ATMCYP19A1TAS2R46
SCHEMBL12002470 1.00 RECQL (0.37) RECQLICAM1ATMCYP19A1TAS2R46
SCHEMBL19830167 0.72 PTPN1 (0.32) PTPN1
SCHEMBL23007994 0.69 ICAM1 (0.44) RECQLICAM1ATMCYP19A1TAS2R46
SCHEMBL21475315 0.69 ICAM1 (0.44) RECQLICAM1ATMCYP19A1TAS2R46
SCHEMBL21475309 0.69 ICAM1 (0.44) RECQLICAM1ATMCYP19A1TAS2R46
SCHEMBL8513390 0.66 PTGS2 (0.48) RECQLCYP3A4TDP1
SCHEMBL13555455 0.66 PTGS2 (0.48) RECQLCYP3A4TDP1
SCHEMBL13555308 0.66 PTGS2 (0.48) RECQLCYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028550-A1 USE OF ALBIFLORIN OR PHARMACEUTICALLY ACCEPTABLE SALT FOR PREVENTION AND/OR TREATMENT OF IRRITABLE BOWEL SYNDROME ZHANG ZUOGUANG (CN) 2018-02-01 — — US disclosed
US-9555055-B2 Use of albiflorin and metabolites thereof ZHANG ZUOGUANG (CN) 2017-01-31 — — US disclosed
US-9023817-B2 Use of albiflorin for anti-depression ZHANG ZUOGUANG (CN) 2015-05-05 — — US disclosed
US-20120270820-A1 USE OF ALBIFLORIN FOR ANTI-DEPRESSION ZHANG ZUOGUANG (CN) 2012-10-25 — — 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 (2 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-20180028550-A1 USE OF ALBIFLORIN OR PHARMACEUTICALLY ACCEPTABLE SALT FOR PREVENTION AND/OR TREATMENT OF IRRITABLE BOWEL SYNDROME ALPI, ALB, SLC10A2 RECQL 1242/4885ICAM1 3713/4885ATM 3331/4885
US-20120270820-A1 USE OF ALBIFLORIN FOR ANTI-DEPRESSION GAP43, ALB, GRM5 RECQL 646/4885ICAM1 4036/4885ATM 3009/4885

“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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