SCHEMBL8513390

SCHEMBL8513390

C=C1C(=O)O[C@@H]2C[C@](C)(O)C(=O)C[C@H]12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.48
▸ NLRP3 Q96P20 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ XBP1 P17861 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ MDM2 Q00987 2/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ TERT O14746 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37

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
SCHEMBL13555455 1.00 PTGS2 (0.48) PTGS2NLRP3TDP1CYP2D6CYP2C9
SCHEMBL13555308 1.00 PTGS2 (0.48) PTGS2NLRP3TDP1CYP2D6CYP2C9
SCHEMBL18430325 0.81 PTGS2 (0.42) PTGS2NLRP3TDP1CYP2D6CYP2C9
SCHEMBL21807699 0.73 PTGS2 (0.40) PTGS2NLRP3TDP1CYP2D6CYP2C9
Telekin SCHEMBL29780465 0.68 NLRP3 (0.51) PTGS2NLRP3TDP1CYP2D6CYP2C9
Ivalin SCHEMBL27903663 0.67 NLRP3 (0.63) PTGS2NLRP3TDP1CYP2D6CYP2C9
Alloalantolactone SCHEMBL29934802 0.67 NLRP3 (0.50) PTGS2NLRP3TDP1CYP2D6CYP2C9
Alloalantolactone SCHEMBL30105635 0.67 NLRP3 (0.50) PTGS2NLRP3TDP1CYP2D6CYP2C9
SCHEMBL12620337 0.66 MAPT (0.42) PTGS2NLRP3TDP1CYP2D6CYP2C9
SCHEMBL13555309 0.66 RECQL (0.37) TDP1CYP3A4RECQL

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 31 patents — showing the first 20. 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 claimed
EP-3263114-A1 USE OF ALBIFLORIN OR PHARMACEUTICALLY ACCEPTABLE SALT FOR PREVENTION AND/OR TREATMENT OF IRRITABLE BOWEL SYNDROME Zhang, Zuoguang (CN) 2018-01-03 — — EP claimed
CN-107106587-A The purposes of albiflorin or the prevention of its pharmaceutically acceptable salt and/or treatment IBS 张作光 2017-08-29 — — CN claimed
US-9555055-B2 Use of albiflorin and metabolites thereof ZHANG ZUOGUANG (CN) 2017-01-31 — — US claimed
EP-2491934-B1 USE OF ALBIFLORIN FOR ANTI-DEPRESSION ZHANG ZUOGUANG (CN) 2016-03-09 — — EP claimed
US-9023817-B2 Use of albiflorin for anti-depression ZHANG ZUOGUANG (CN) 2015-05-05 — — US claimed
US-20130316966-A1 USE OF ALBIFLORIN AND METABOLITES THEREOF ZHANG ZUOGUANG (CN) 2013-11-28 — — US claimed
EP-2644198-A1 ANTIANXIETY AND SLEEP DISORDER IMPROVING USE OF ALBIFLORIN OR METABOLITE THEREOF IN Zhang, Zuoguang (CN) 2013-10-02 — — EP claimed
US-20120270820-A1 USE OF ALBIFLORIN FOR ANTI-DEPRESSION ZHANG ZUOGUANG (CN) 2012-10-25 — — US claimed
EP-2491934-A1 USE OF ALBIFLORIN FOR ANTI-DEPRESSION Zhang, Zuoguang (CN) 2012-08-29 — — EP claimed
CN-122081422-A Synthesis method of alpha-hydroxy ketone compound — 2026-05-26 — — CN disclosed
CN-110872264-B Cis-tetrahydrobenzofuran compound containing Z, E-diene outside ring and synthesis method thereof 河南师范大学 2023-01-24 — — CN disclosed
US-10350230-B2 Use of albiflorin or pharmaceutically acceptable salt for prevention and/or treatment of irritable bowel syndrome ZHANG ZUOGUANG (CN) 2019-07-16 — — US disclosed
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
EP-3263114-A1 USE OF ALBIFLORIN OR PHARMACEUTICALLY ACCEPTABLE SALT FOR PREVENTION AND/OR TREATMENT OF IRRITABLE BOWEL SYNDROME Zhang, Zuoguang (CN) 2018-01-03 — — EP disclosed
EP-2644198-A1 ANTIANXIETY AND SLEEP DISORDER IMPROVING USE OF ALBIFLORIN OR METABOLITE THEREOF IN Zhang, Zuoguang (CN) 2013-10-02 — — EP disclosed
CN-103179973-A Use of albiflorin or metabolite thereof for resisting anxiety and improving sleep disorder ZHANG ZUOGUANG 2013-06-26 — — CN disclosed
US-20120270820-A1 USE OF ALBIFLORIN FOR ANTI-DEPRESSION ZHANG ZUOGUANG (CN) 2012-10-25 — — US disclosed
EP-2491934-A1 USE OF ALBIFLORIN FOR ANTI-DEPRESSION Zhang, Zuoguang (CN) 2012-08-29 — — EP disclosed
WO-2012068958-A1 ANTIANXIETY AND SLEEP DISORDER IMPROVING USE OF ALBIFLORIN OR METABOLITE THEREOF IN ZHANG ZUOGUANG (CN) 2012-05-31 — — WO 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 (4 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-10350230-B2 Use of albiflorin or pharmaceutically acceptable salt for prevention and/or treatment of irritable bowel syndrome ALPI, ALB, SLC10A2 PTGS2 1492/4885NLRP3 2279/4885TDP1 4817/4885
US-20180028550-A1 USE OF ALBIFLORIN OR PHARMACEUTICALLY ACCEPTABLE SALT FOR PREVENTION AND/OR TREATMENT OF IRRITABLE BOWEL SYNDROME ALPI, ALB, SLC10A2 PTGS2 1492/4885NLRP3 2279/4885TDP1 4817/4885
US-20120270820-A1 USE OF ALBIFLORIN FOR ANTI-DEPRESSION GAP43, ALB, GRM5 PTGS2 709/4885NLRP3 2928/4885TDP1 3067/4885
US-20130316966-A1 USE OF ALBIFLORIN AND METABOLITES THEREOF SQSTM1, ATG7, ATG13 PTGS2 2609/4885NLRP3 733/4885TDP1 3344/4885

“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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