Calanolide A

Calanolide A

SCHEMBL30075237

CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@@H]3O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 1.00
▸ CA12 O43570 2/20 1.00
▸ CA1 P00915 2/20 1.00
▸ CA2 P00918 2/20 1.00
▸ CA7 P43166 2/20 1.00
▸ CA9 Q16790 2/20 1.00
▸ APAF1 O14727 1/20 1.00
▸ MAPK1 P28482 1/20 1.00
▸ NPSR1 Q6W5P4 1/20 1.00
▸ CA13 Q8N1Q1 1/20 1.00
▸ PDE4D Q08499 2/20 0.40
▸ HIF1A Q16665 4/20 0.35
▸ EPAS1 Q99814 4/20 0.35
▸ HCAR2 Q8TDS4 3/20 0.33
▸ TSSK1B Q9BXA7 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ FFAR3 O14843 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
(+)-Calanolide B SCHEMBL212038 1.00 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
Calanolide C SCHEMBL7036135 1.00 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
Costatolide SCHEMBL30544160 1.00 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
(-)-Calanolide A SCHEMBL29803798 1.00 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
Calanolide A SCHEMBL140017 1.00 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
(-)-Calanolide A SCHEMBL8927754 1.00 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
Costatolide SCHEMBL29397227 1.00 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
Costatolide SCHEMBL29402951 1.00 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
Costatolide SCHEMBL8927756 1.00 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
SCHEMBL19596735 0.90 ALDH1A1 (0.82) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4556010-A2 JAK INHIBITORS FOR USE IN THE PREVENTION OR TREATMENT OF A VIRAL DISEASE CAUSED BY A CORONAVIRIDAE Emory University (US) 2025-05-21 — — EP disclosed
EP-3750544-B1 JAK INHIBITORS FOR USE IN THE PREVENTION OR TREATMENT OF A VIRAL DISEASE CAUSED BY A CORONAVIRIDAE UNIV EMORY (US) 2025-03-05 — — EP disclosed
US-20250019418-A1 SYSTEMS AND METHODS FOR THE PRODUCTION OF METHEMOGLOBIN AND ITS DERIVATIVES OHIO STATE INNOVATION FOUNDATION 2025-01-16 — — US disclosed
WO-2024055886-A1 BRANCHED POLYETHYLENE GLYCOL LINKER AND USE THEREOF 辽宁键凯科技有限公司 2024-03-21 — — WO disclosed
CN-115346689-B Virus-drug association prediction method based on hypergraph self-adaptive inductive matrix completion 厦门理工学院 2023-10-31 — — CN disclosed
US-20230225973-A1 MULTI-LAYERED MEDICAMENT FOR INHALATION MYLAN PHARMA UK LIMITED (GB) 2023-07-20 — — US disclosed
CN-115505028-A Branched polyethylene glycol linker and application thereof 辽宁键凯科技有限公司 2022-12-23 — — CN disclosed
CN-115346689-A Virus-drug association prediction method based on hypergraph adaptive induction matrix completion 厦门理工学院 2022-11-15 — — CN 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-20250019418-A1 SYSTEMS AND METHODS FOR THE PRODUCTION OF METHEMOGLOBIN AND ITS DERIVATIVES MB, HMBS, HCCS ALDH1A1 1906/4885CA12 273/4885CA1 844/4885
US-20230225973-A1 MULTI-LAYERED MEDICAMENT FOR INHALATION NDUFB5, NDUFB7, NDUFB8 ALDH1A1 779/4885CA12 1630/4885CA1 3489/4885

“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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