SCHEMBL1591576

SCHEMBL1591576

CCOC(=O)c1c(C(=O)OCC)c(OC(C)C)c2ccccc2c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
EDNRA P25101 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NMT1 P30419 1/20 0.42
GLRA1 P23415 1/20 0.41
ALOX5 P09917 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL1590178 0.91 KMT2A (0.52) LMNAL3MBTL1KMT2ANPC1RAB9A
SCHEMBL1590733 0.88 KMT2A (0.50) LMNAL3MBTL1KMT2ANPC1RAB9A
SCHEMBL3560450 0.88 CA12 (0.45) LMNAL3MBTL1KMT2ANPC1RAB9A
SCHEMBL2924743 0.88 CA12 (0.50) LMNAKMT2ANPC1RAB9AALDH1A1
SCHEMBL3560451 0.86 ALDH1A1 (0.44) LMNAL3MBTL1KMT2ANPC1RAB9A
SCHEMBL1590281 0.86 ALDH1A1 (0.50) LMNAL3MBTL1KMT2ANPC1RAB9A
SCHEMBL3557535 0.85 ALOX5 (0.45) LMNAKMT2ANPC1RAB9AALDH1A1
SCHEMBL1590125 0.85 EDNRA (0.52) LMNAL3MBTL1KMT2AEDNRAALDH1A1
SCHEMBL3568302 0.85 CA12 (0.42) LMNAKMT2ANPC1RAB9AALDH1A1
SCHEMBL1591418 0.85 KMT2A (0.47) LMNAL3MBTL1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979317-B1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 US disclosed
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US disclosed
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US disclosed
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US disclosed
WO-2008061955-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-05-29 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 (2 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-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN OPRK1, OPRD1, OPRL1 LMNA 1525/4885L3MBTL1 1363/4885KMT2A 2553/4885
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS PTGER4, PTGER3, HTR4 LMNA 2184/4885L3MBTL1 4780/4885KMT2A 2460/4885

“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.