SCHEMBL13062753

SCHEMBL13062753

CCCc1cc(=O)oc2c(C(=O)C3CC3)c(O)c3c(c12)OC(C)(C)C=C3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ APAF1 O14727 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ CA12 O43570 1/20 0.59
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ CA7 P43166 1/20 0.59
▸ CA9 Q16790 1/20 0.59
▸ CA13 Q8N1Q1 1/20 0.59
▸ HIF1A Q16665 7/20 0.39
▸ EPAS1 Q99814 6/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ TSSK1B Q9BXA7 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ SPR P35270 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 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
SCHEMBL6652226 0.88 ALDH1A1 (0.60) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL14220191 0.83 ALDH1A1 (0.57) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL13261733 0.81 ALDH1A1 (0.54) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL13261735 0.81 ALDH1A1 (0.54) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL13016615 0.81 ALDH1A1 (0.54) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL13016612 0.81 ALDH1A1 (0.54) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL8926859 0.79 ALDH1A1 (0.59) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL6628817 0.79 ALDH1A1 (0.58) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL6630866 0.78 CA12 (0.58) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL7103733 0.78 ALDH1A1 (0.57) ALDH1A1APAF1MAPK1NPSR1CA12

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 1 patent. 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

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 482/4885APAF1 2075/4885MAPK1 587/4885

“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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