SCHEMBL13016643

SCHEMBL13016643

CC1CC(=O)c2c(c3c(c4c(CCl)cc(=O)oc24)OC(C)(C)C=C3)O1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.49
▸ CA1 P00915 3/20 0.49
▸ CA7 P43166 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ CA2 P00918 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ CA13 Q8N1Q1 2/20 0.49
▸ APAF1 O14727 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ PDE4D Q08499 2/20 0.36
▸ TSSK1B Q9BXA7 1/20 0.36
▸ ODC1 P11926 4/20 0.34
▸ PTPN1 P18031 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ PON1 P27169 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ BCHE P06276 1/20 0.31

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
SCHEMBL13016662 0.92 CA12 (0.53) CA12CA1CA7CA9CA2
SCHEMBL13016588 0.89 CA12 (0.62) CA12CA1CA7CA9CA2
SCHEMBL13016795 0.88 ALDH1A1 (0.56) CA12CA1CA7CA9CA2
SCHEMBL13016877 0.86 CA12 (0.50) CA12CA1CA7CA9CA2
SCHEMBL13016619 0.86 CA12 (0.43) CA12CA1CA7CA9CA2
SCHEMBL13016647 0.85 ALDH1A1 (0.45) CA12CA1CA7CA9CA2
SCHEMBL13016644 0.84 ALDH1A1 (0.44) CA12CA1CA7CA9CA2
SCHEMBL13016655 0.82 CA12 (0.41) CA12CA1CA7CA9CA2
SCHEMBL13016723 0.81 ALDH1A1 (0.40) CA12CA1CA7CA9CA2
SCHEMBL13016596 0.80 ALDH1A1 (0.51) CA12CA1CA7CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CA12 4246/4885CA1 4552/4885CA7 3297/4885

“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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