SCHEMBL3782904

SCHEMBL3782904

O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2c(O)cc(O)cc2o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.67
▸ CA9 Q16790 4/20 0.67
▸ CA12 O43570 4/20 0.67
▸ MAP1LC3B Q9GZQ8 1/20 0.67
▸ ALDH1A1 P00352 9/20 0.50
▸ ALOX15 P16050 6/20 0.50
▸ TSHR P16473 5/20 0.50
▸ MAPK1 P28482 4/20 0.50
▸ MAPT P10636 7/20 0.49
▸ POLB P06746 4/20 0.49
▸ CTDSP1 Q9GZU7 2/20 0.49
▸ CYP3A4 P08684 6/20 0.48
▸ HPGD P15428 6/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ CASP1 P29466 2/20 0.48
▸ CASP7 P55210 2/20 0.48
▸ AR P10275 3/20 0.47
▸ MGAM O43451 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ SI P14410 2/20 0.46

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
SCHEMBL8580581 0.84 MAP1LC3B (0.80) LMNACA9CA12MAP1LC3BALDH1A1
SCHEMBL29115369 0.81 MAP1LC3B (0.74) LMNACA9CA12MAP1LC3BALDH1A1
SCHEMBL30677928 0.81 MAP1LC3B (0.74) LMNACA9CA12MAP1LC3BALDH1A1
SCHEMBL3787335 0.80 MAP1LC3B (1.00) CA9CA12MAP1LC3BALDH1A1ALOX15
SCHEMBL27903490 0.80 CA12 (1.00) LMNACA9CA12ALDH1A1MAPT
SCHEMBL29115413 0.79 MAP1LC3B (0.76) LMNACA9CA12MAP1LC3BALDH1A1
SCHEMBL10624565 0.79 MAPT (0.75) LMNACA9CA12ALDH1A1ALOX15
SCHEMBL30677926 0.77 MAP1LC3B (0.68) LMNACA12MAP1LC3BALDH1A1ALOX15
SCHEMBL29115331 0.77 MAP1LC3B (0.68) LMNACA12MAP1LC3BALDH1A1ALOX15
SCHEMBL14829759 0.74 CA12 (0.51) LMNACA9CA12ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101896492-B Tetriacyclodipyranyl coumarins and the anti-HIV and anti-tuberculosis uses thereof INST OF MATARIA MEDICA CHINESE 2015-05-06 — — CN disclosed
EP-2216335-B1 TETRACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF INST MATERIA MEDICA CAMS (CN) 2014-03-12 — — EP disclosed
EP-2216335-B1 TETRACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF INST MATERIA MEDICA CAMS (CN) 2014-03-12 — — EP disclosed
CN-101100470-B Tetracyclic bispyranyl coumarin compounds INST MATERIA MEDICA CAMS 2013-02-13 — — CN 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
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
CN-101896492-A Tetriacyclodipyranyl coumarins and the anti-HIV and anti-tuberculosis uses thereof INST OF MATARIA MEDICA CHINESE 2010-11-24 — — CN 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
CN-101100470-A Tetracyclic bispyranyl coumarin compounds INST MATERIA MEDICA CAMS (CN) 2008-01-09 — — CN 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 LMNA 2668/4885CA9 4101/4885CA12 4246/4885

“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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