SCHEMBL8037490

SCHEMBL8037490

COCc1nc(-c2cc(OC)c(O)cc2C(=O)OC)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.45
HPGD P15428 4/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 9/20 0.40
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
GAA P10253 2/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL8037477 0.83 MAPT (0.44) POLBHPGDNPSR1MAPTHSD17B10
SCHEMBL8041185 0.81 POLB (0.47) POLBMAPK1HPGDRAB9AL3MBTL1
SCHEMBL8027539 0.80 MAPT (0.39) POLBMAPK1HPGDRAB9ANPC1
SCHEMBL12717350 0.78 SMO (0.41) HPGDL3MBTL1NPC1MAPTTP53
SCHEMBL8041125 0.77 KDM4E (0.41) POLBHPGDL3MBTL1SMN1; SMN2MAPT
SCHEMBL8038054 0.76 MAPT (0.51) MAPK1HPGDRAB9AL3MBTL1NPC1
SCHEMBL12717473 0.76 POLB (0.45) POLBMAPK1HPGDRAB9AL3MBTL1
SCHEMBL8039516 0.75 HTT (0.48) HPGDL3MBTL1NPC1SMN1; SMN2MAPT
SCHEMBL12717362 0.75 NPC1 (0.39) POLBMAPK1HPGDNPC1SMN1; SMN2
SCHEMBL8037781 0.73 ALDH1A1 (0.39) MAPK1HPGDL3MBTL1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923462-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 US disclosed
US-7923462-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 US disclosed
US-20100280083-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-11-04 US disclosed
US-20100280083-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-11-04 US disclosed
EP-2246338-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION Kissei Pharmaceutical Co., Ltd. (JP) 2010-11-03 EP disclosed
WO-2009081891-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 WO 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-20100280083-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION COMT, CYP2D6, CYP3A43 POLB 1571/4885MAPK1 4305/4885HPGD 964/4885

“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.