(-)-Calanolide A

(-)-Calanolide A

SCHEMBL29803798

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 SCHEMBL140017 1.00 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
Calanolide A SCHEMBL30075237 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305041-A1 MAP4K1 INHIBITORS Blueprint Medicines Corporation (US) 2024-01-17 — — EP disclosed
US-20230130767-A1 GLYCOLIPID COMPOSITIONS AND METHODS OF USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-27 — — US disclosed
US-11491181-B2 Glycolipid compositions and methods of use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-11-08 — — US disclosed
WO-2022192145-A1 MAP4K1 INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2022-09-15 — — 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 (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-11491181-B2 Glycolipid compositions and methods of use SGMS2, SGMS1, UGCG ALDH1A1 2272/4885CA12 402/4885CA1 1371/4885
US-20230130767-A1 GLYCOLIPID COMPOSITIONS AND METHODS OF USE SGMS2, SGMS1, UGCG ALDH1A1 2272/4885CA12 402/4885CA1 1371/4885

“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.

Send feedback