SCHEMBL8038908

SCHEMBL8038908

CCOC(=O)CCc1nc(-c2cc(OC)c(OCc3ccccc3)cc2I)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
KMT2A Q03164 2/20 0.47
HPGD P15428 5/20 0.43
TSHR P16473 5/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 5/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 5/20 0.42
THRB P10828 1/20 0.42
SMPD1 P17405 1/20 0.42
PKM P14618 1/20 0.42
CASP1 P29466 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL12717318 0.89 POLB (0.50) POLBKMT2AHPGDTSHRMAPT
SCHEMBL8037013 0.86 L3MBTL1 (0.49) POLBKMT2AHPGDTSHRMAPT
SCHEMBL8041120 0.84 L3MBTL1 (0.46) POLBKMT2AHPGDTSHRMAPT
SCHEMBL8025389 0.82 POLB (0.54) POLBKMT2AHPGDTSHRMAPT
SCHEMBL8037063 0.80 MAPT (0.52) KMT2AHPGDTSHRMAPTSMN1; SMN2
SCHEMBL1616916 0.80 BRD4 (0.44) HPGDTSHRMAPTSMN1; SMN2LMNA
SCHEMBL1618214 0.80 BRD4 (0.44) HPGDTSHRMAPTSMN1; SMN2LMNA
SCHEMBL8025333 0.77 POLB (0.48) POLBKMT2AHPGDTSHRMAPT
SCHEMBL8025388 0.76 HTT (0.41) HPGDTSHRMAPTSMN1; SMN2LMNA
SCHEMBL12717323 0.76 POLB (0.47) POLBKMT2AHPGDTSHRMAPT

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 POLB 1571/4885KMT2A 807/4885HPGD 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.