SCHEMBL13016702

SCHEMBL13016702

CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(c1ccc(C)cc1)CC3=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ CA13 Q8N1Q1 1/20 0.54
▸ ODC1 P11926 4/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ CTSK P43235 1/20 0.40
▸ ESR1 P03372 5/20 0.39
▸ ESR2 Q92731 5/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ TSSK1B Q9BXA7 1/20 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
SCHEMBL13016699 0.92 APAF1 (0.55) APAF1ALDH1A1MAPK1NPSR1CA12
SCHEMBL13016588 0.85 CA12 (0.62) APAF1ALDH1A1MAPK1NPSR1CA12
SCHEMBL15501079 0.84 ALDH1A1 (0.59) APAF1ALDH1A1MAPK1NPSR1CA12
SCHEMBL13016686 0.83 ALDH1A1 (0.58) APAF1ALDH1A1MAPK1NPSR1CA12
SCHEMBL13016609 0.82 ALDH1A1 (0.57) APAF1ALDH1A1MAPK1NPSR1CA12
SCHEMBL13261736 0.82 ALDH1A1 (0.57) APAF1ALDH1A1MAPK1NPSR1CA12
1'-Aminemethyl-11-Demethyl-12-Oxo-Calanolide A SCHEMBL13016848 0.82 ALDH1A1 (0.57) APAF1ALDH1A1MAPK1NPSR1CA12
SCHEMBL13016688 0.81 ALDH1A1 (0.56) APAF1ALDH1A1MAPK1NPSR1CA12
SCHEMBL13016617 0.81 ALDH1A1 (0.56) APAF1ALDH1A1MAPK1NPSR1CA12
SCHEMBL13016795 0.80 ALDH1A1 (0.56) APAF1ALDH1A1MAPK1NPSR1CA12

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 APAF1 2075/4885ALDH1A1 482/4885MAPK1 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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