SCHEMBL10058490

SCHEMBL10058490

CCOC(=O)c1c(C(=O)OCC)c(C)c2ccccc2c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
TSHR P16473 1/20 0.59
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
GAA P10253 4/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
RAB9A P51151 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51

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
SCHEMBL30881958 0.92 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL9606773 0.91 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL9606730 0.88 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL1590707 0.82 ALDH1A1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL28966737 0.81 GAA (0.50) CA12CA1CA2CA7CA9
SCHEMBL28966727 0.81 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL9397467 0.80 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL31442541 0.80 SMN1; SMN2 (0.71) ALDH1A1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL10256511 0.80 SMN1; SMN2 (0.71) ALDH1A1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL5835576 0.79 CA12 (0.55) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 US disclosed
US-20100076048-A1 Isoindol Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
US-20100069457-A1 Naphthalene Derivatives Used As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2010-03-18 US disclosed
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US disclosed
US-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists GLAXO GROUP LIMITED 2009-12-17 US disclosed
US-7173047-B2 Benzo (f) insoindol derivatives and their use as ep4 receptor ligands GLAXO GROUP LIMITED (GB) 2007-02-06 US 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 (5 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 CA12 4283/4885CA1 4094/4885CA2 2811/4885
US-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists PTGER4, GPR4, PTGER1 CA12 4795/4885CA1 4822/4885CA2 3710/4885
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS PTGER4, PTGER3, HTR4 CA12 4516/4885CA1 4599/4885CA2 2637/4885
US-20100069457-A1 Naphthalene Derivatives Used As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 CA12 4613/4885CA1 4786/4885CA2 3918/4885
US-20100076048-A1 Isoindol Derivatives As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 CA12 4874/4885CA1 4873/4885CA2 4565/4885

“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.