SCHEMBL7036205

SCHEMBL7036205

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.68
▸ CA12 O43570 2/20 0.68
▸ CA1 P00915 2/20 0.68
▸ CA2 P00918 2/20 0.68
▸ CA7 P43166 2/20 0.68
▸ CA9 Q16790 2/20 0.68
▸ APAF1 O14727 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ CA13 Q8N1Q1 1/20 0.68
▸ PDE4D Q08499 2/20 0.38
▸ HTT P42858 3/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HIF1A Q16665 4/20 0.35
▸ EPAS1 Q99814 4/20 0.35

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
Costatolide SCHEMBL30544160 0.81 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
Calanolide A SCHEMBL30075237 0.81 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
Costatolide SCHEMBL29397227 0.81 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
(+)-Calanolide B SCHEMBL212038 0.81 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
(-)-Calanolide A SCHEMBL29803798 0.81 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
Calanolide A SCHEMBL140017 0.81 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
Costatolide SCHEMBL8927756 0.81 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
Costatolide SCHEMBL29402951 0.81 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
(-)-Calanolide A SCHEMBL8927754 0.81 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA7
Calanolide C SCHEMBL7036135 0.81 ALDH1A1 (1.00) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308448-A1 Method for the preparation of chromanone Sarawak Medichem Pharmaceuticals Inc. (US) 2003-05-07 — — EP disclosed
EP-0775130-B1 METHOD FOR THE PREPARATION OF (+/-)-CALANOLIDE A AND INTERMEDIATES THEREOF SARAWAK MEDICHEM PHARMACEUTICALS INC (US) 2003-05-02 — — EP disclosed
EP-1143952-B1 METHOD AND COMPOSITION FOR TREATING AND PREVENTING TUBERCULOSIS SARAWAK MEDICHEM PHARMACEUTICALS INC (US) 2003-02-26 — — EP disclosed
US-20020013478-A1 Calanolide analogues and methods of their use SARAWAK MEDICHEM PHARMACEUTICALS,INC. 2002-01-31 — — US disclosed
US-6277879-B1 VIRICIDES SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2001-08-21 — — US disclosed
US-6268393-B1 CALANOLIDES AND ANALOGUES THEREOF SARAWAK MEDICHEM PHARMACEUTICALS 2001-07-31 — — US disclosed
EP-1054007-A2 Method for the preparation of (+/-)-calanolide A MEDICHEM RESEARCH, INC. (US) 2000-11-22 — — EP disclosed
US-6043271-A Method for the preparation of (±)-calanolide A and intermediates thereof SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 2000-03-28 — — US disclosed
US-5981770-A HIV REVERSE TRANSCRIPTASE INHIBITOR, VIRICIDE SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1999-11-09 — — US disclosed
US-5977385-A VIRICIDES SARAWAK MEDICHEM PHARMACEUTICALS (US) 1999-11-02 — — US disclosed
WO-1996004263-A1 METHOD FOR THE PREPARATION OF (±)-CALANOLIDE A AND INTERMEDIATES THEREOF MEDICHEM RESEARCH, INC. (US) 1996-02-15 — — WO disclosed
US-5489697-A Method for the preparation of (+)-calanolide A and intermediates thereof MEDICHEM RESEARCH, INC. (US) 1996-02-06 — — 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 (1 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-20020013478-A1 Calanolide analogues and methods of their use HAVCR2, ZC3HAV1, CYP51A1 ALDH1A1 3786/4885CA12 957/4885CA1 2528/4885

“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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