SCHEMBL13016751

SCHEMBL13016751

O=c1oc2cc(O)cc(O)c2c2c1CCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.58
GAA P10253 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 4/20 0.54
TSHR P16473 4/20 0.54
HSD17B10 Q99714 4/20 0.54
CASP1 P29466 3/20 0.54
CASP7 P55210 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GLA P06280 2/20 0.54
MGAM O43451 3/20 0.53
SI P14410 2/20 0.53
MGAM2 Q2M2H8 2/20 0.53
CLK2 P49760 2/20 0.53
CYP1A2 P05177 1/20 0.53
NFKB1 P19838 1/20 0.52
CYP3A4 P08684 1/20 0.50
CA9 Q16790 1/20 0.50
NUAK1 O60285 1/20 0.49
IGF1R P08069 1/20 0.49

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
SCHEMBL6585928 0.97 ALDH1A1 (0.58) MAOAGAAALDH1A1HPGDTSHR
SCHEMBL7531522 0.81 RXFP1 (0.60) GAAALDH1A1HPGDTSHRHSD17B10
SCHEMBL30591241 0.79 MGAM (0.61) MAOAGAAALDH1A1HPGDTSHR
SCHEMBL14454479 0.78 ALDH1A1 (0.50) MAOAGAAALDH1A1HPGDTSHR
SCHEMBL10790197 0.78 MAOA (0.51) MAOAGAAALDH1A1HPGDTSHR
SCHEMBL8229647 0.77 ALDH1A1 (0.44) MAOAGAAALDH1A1HPGDTSHR
SCHEMBL10790717 0.75 ALDH1A1 (0.51) MAOAGAAALDH1A1HPGDTSHR
SCHEMBL7532870 0.74 ALDH1A1 (0.50) MAOAGAAALDH1A1HPGDTSHR
SCHEMBL3757463 0.73 MAOA (1.00) MAOAGAAALDH1A1HPGDTSHR
SCHEMBL10795217 0.73 CYP1A2 (0.53) MAOAGAAALDH1A1HPGDTSHR

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 3 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

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 MAOA 3855/4885GAA 2093/4885ALDH1A1 482/4885

“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.