Costatolide

Costatolide

SCHEMBL29402951

CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250091995-A1 STABLE CRYSTAL OF 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC. (JP) 2025-03-20 — — US disclosed
WO-2023086152-A1 SYSTEMS AND METHODS FOR THE PRODUCTION OF METHEMOGLOBIN AND ITS DERIVATIVES OHIO STATE INNOVATION FOUNDATION (US) 2023-05-19 — — WO disclosed
US-20220370738-A1 FILLING HEAD FOR POWERED LAYERING OF A DRY POWDER INHALER MILAN PHARMA UK LIMITED (GB) 2022-11-24 — — US disclosed
US-20220218834-A1 APOHEMOGLOBIN-HAPTOGLOBIN COMPLEXES AND METHODS OF USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-07-14 — — US disclosed
WO-2022040435-A1 NANODRUGS FOR TARGETED DRUG DELIVERY AND USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-02-24 — — 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-20250091995-A1 STABLE CRYSTAL OF 4-OXOQUINOLINE COMPOUND KCNQ2, KCNQ1, KCNQ5 ALDH1A1 896/4885CA12 1598/4885CA1 1611/4885
US-20220218834-A1 APOHEMOGLOBIN-HAPTOGLOBIN COMPLEXES AND METHODS OF USING THEREOF HBG1, HBG2, LPO ALDH1A1 3209/4885CA12 807/4885CA1 1646/4885

“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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