SCHEMBL8037784

SCHEMBL8037784

CCOC(=O)CCc1nc(-c2cc(OC)c(O)cc2C(C)=O)no1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
TSHR P16473 4/20 0.41
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 3/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 2/20 0.40
GLA P06280 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 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
SCHEMBL8041125 0.87 KDM4E (0.41) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL8037781 0.85 ALDH1A1 (0.39) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL12717318 0.82 POLB (0.50) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL8037487 0.79 MAPT (0.42) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL12717550 0.78 MAPT (0.39) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL8038054 0.76 MAPT (0.51) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL8039516 0.75 HTT (0.48) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL8038080 0.74 ALDH1A1 (0.40) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL8044115 0.73 HDAC6 (0.42) HTT
SCHEMBL12717715 0.73 LMNA (0.39) MAPTALDH1A1HPGDTSHRLMNA

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 5 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
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 MAPT 3517/4885ALDH1A1 112/4885HPGD 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.