SCHEMBL13016682

SCHEMBL13016682

CCCc1cc(=O)oc2c1c1c(c3occc(=O)c32)C=CC(C)(C)O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ CA12 O43570 3/20 0.57
▸ CA1 P00915 3/20 0.57
▸ CA7 P43166 3/20 0.57
▸ CA9 Q16790 3/20 0.57
▸ MAPK1 P28482 3/20 0.57
▸ CA2 P00918 2/20 0.57
▸ CA13 Q8N1Q1 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ APAF1 O14727 1/20 0.57
▸ PDE4D Q08499 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HCAR2 Q8TDS4 3/20 0.34
▸ MAPT P10636 4/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HDAC3 O15379 2/20 0.33

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
SCHEMBL3777542 0.80 NPSR1 (0.37) ALDH1A1CA12CA1CA7CA9
SCHEMBL7033536 0.80 ALDH1A1 (0.59) ALDH1A1CA12CA1CA7CA9
SCHEMBL8926859 0.76 ALDH1A1 (0.59) ALDH1A1CA12CA1CA7CA9
SCHEMBL6652226 0.75 ALDH1A1 (0.60) ALDH1A1CA12CA1CA7CA9
SCHEMBL6628817 0.75 ALDH1A1 (0.58) ALDH1A1CA12CA1CA7CA9
114, 10,10-Dimethyl-11-Demethyl-12-Oxo Calanolide A SCHEMBL13016680 0.75 ALDH1A1 (0.58) ALDH1A1CA12CA1CA7CA9
SCHEMBL8467499 0.75 ALDH1A1 (0.63) ALDH1A1CA12CA1CA7CA9
SCHEMBL13016937 0.75 ALDH1A1 (0.58) ALDH1A1CA12CA1CA7CA9
SCHEMBL13016588 0.75 CA12 (0.62) ALDH1A1CA12CA1CA7CA9
SCHEMBL14220543 0.74 ALDH1A1 (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2216335-B1 TETRACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF INST MATERIA MEDICA CAMS (CN) 2014-03-12 — — EP disclosed
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 — — US disclosed
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 — — US disclosed
EP-2216335-A1 TETRIACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF Institute of Mataria Medica, Chinese Academy of Medical Sciences (CN) 2010-08-11 — — EP 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-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES TBCB, TBC1D15, TBC1D5 ALDH1A1 482/4885CA12 4246/4885CA1 4552/4885

“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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