SCHEMBL1658634

SCHEMBL1658634

CCOC(=O)c1cc(O)c(O)c([N+](=O)[O-])c1C(=O)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TSHR P16473 4/20 0.44
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RAB9A P51151 4/20 0.41
HSD17B10 Q99714 3/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CASP1 P29466 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CASP7 P55210 1/20 0.39
BAP1 Q92560 1/20 0.39

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
SCHEMBL12082358 0.90 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2ARAB9A
SCHEMBL1655697 0.83 TSHR (0.43) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL12082558 0.83 LMNA (0.47) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL12082309 0.82 ELANE (0.45) ALDH1A1MEN1KMT2ARAB9AMAPK1
SCHEMBL12082489 0.81 ABCC3 (0.50) ALDH1A1MEN1KMT2ARAB9AMAPK1
SCHEMBL12082301 0.81 TSHR (0.48) ALDH1A1TSHRMEN1KMT2ARAB9A
SCHEMBL1656427 0.80 ALDH1A1 (0.38) ALDH1A1POLBHPGDSMN1; SMN2MAPT
SCHEMBL12082302 0.79 SMN1; SMN2 (0.47) ALDH1A1TSHRMEN1KMT2ARAB9A
SCHEMBL12082555 0.76 MAPT (0.43) ALDH1A1POLBHPGDNPC1SMN1; SMN2
SCHEMBL1655889 0.76 PKM (0.42) ALDH1A1MEN1KMT2AMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305633-B1 Catechol derivative and its use KISSEI PHARMACEUTICAL (JP) 2013-03-20 EP claimed
US-8258162-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 US claimed
US-20110172208-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) 2011-07-14 US claimed
EP-2305633-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) 2011-04-06 EP claimed
EP-2305633-B1 Catechol derivative and its use KISSEI PHARMACEUTICAL (JP) 2013-03-20 EP disclosed
US-8258162-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 US disclosed
US-8258162-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 US disclosed
US-8258162-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 US disclosed
US-20110172208-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) 2011-07-14 US disclosed
US-20110172208-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) 2011-07-14 US disclosed
US-20110172208-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) 2011-07-14 US disclosed
EP-2305633-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) 2011-04-06 EP 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-20110172208-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION COMT, CYP3A5, CYP2D6 ALDH1A1 150/4885TSHR 4313/4885MEN1 4291/4885

“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.