SCHEMBL7033536

SCHEMBL7033536

CCCc1cc(=O)oc2c1c1c(c3oc(C)c(C)c(=O)c32)C=CC(C)(C)O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ CA12 O43570 3/20 0.59
▸ CA1 P00915 3/20 0.59
▸ CA7 P43166 3/20 0.59
▸ CA9 Q16790 3/20 0.59
▸ CA2 P00918 2/20 0.59
▸ CA13 Q8N1Q1 2/20 0.59
▸ APAF1 O14727 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ PDE4D Q08499 4/20 0.40
▸ MAPT P10636 3/20 0.38
▸ TSHR P16473 2/20 0.37
▸ ALDH1A2 O94788 1/20 0.37
▸ ALDH2 P05091 1/20 0.37
▸ ALDH1B1 P30837 1/20 0.37
▸ ALDH1A3 P47895 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7783695 0.82 ALDH1A1 (0.42) ALDH1A1CA12CA1CA7CA9
SCHEMBL13016682 0.80 ALDH1A1 (0.57) ALDH1A1CA12CA1CA7CA9
SCHEMBL6628820 0.76 ALDH1A1 (0.57) ALDH1A1CA12CA1CA7CA9
SCHEMBL8926859 0.75 ALDH1A1 (0.59) ALDH1A1CA12CA1CA7CA9
114, 10,10-Dimethyl-11-Demethyl-12-Oxo Calanolide A SCHEMBL13016680 0.74 ALDH1A1 (0.58) ALDH1A1CA12CA1CA7CA9
SCHEMBL8467499 0.74 ALDH1A1 (0.63) ALDH1A1CA12CA1CA7CA9
SCHEMBL6652226 0.74 ALDH1A1 (0.60) ALDH1A1CA12CA1CA7CA9
SCHEMBL6628817 0.74 ALDH1A1 (0.58) ALDH1A1CA12CA1CA7CA9
SCHEMBL13016937 0.74 ALDH1A1 (0.58) ALDH1A1CA12CA1CA7CA9
Calanolide A SCHEMBL140017 0.74 ALDH1A1 (1.00) ALDH1A1CA12CA1CA7CA9

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
US-20020013478-A1 Calanolide analogues and methods of their use SARAWAK MEDICHEM PHARMACEUTICALS,INC. 2002-01-31 — — US claimed
US-6277879-B1 VIRICIDES SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2001-08-21 — — US claimed
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-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
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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