SCHEMBL3557535

SCHEMBL3557535

CCOC(=O)c1c(C(=O)O)c(OC(C)C)c2ccccc2c1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KDM4E B2RXH2 7/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 8/20 0.43
MAPT P10636 7/20 0.43
GAA P10253 5/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3560451 0.95 ALDH1A1 (0.44) ALOX5CA12CA1CA2CA7
SCHEMBL2924743 0.94 CA12 (0.50) ALOX5CA12CA1CA2CA7
SCHEMBL3561086 0.92 KDM4E (0.49) ALOX5CA12CA1CA2CA7
SCHEMBL3568304 0.91 ALOX5 (0.40) ALOX5CA12CA1CA2CA7
SCHEMBL3565901 0.90 KDM4E (0.40) ALOX5CA12CA1CA2CA7
SCHEMBL3560450 0.89 CA12 (0.45) ALOX5CA12CA1CA2CA7
SCHEMBL3570710 0.88 ALDH1A1 (0.42) ALOX5KDM4ESMN1; SMN2LMNATSHR
SCHEMBL3561084 0.87 ALDH1A1 (0.51) ALOX5CA12CA1CA2CA7
SCHEMBL2297450 0.86 KMT2A (0.44) CA12CA1CA2CA7CA9
SCHEMBL1591576 0.85 LMNA (0.50) ALOX5KDM4EMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1886993-B1 BENZO[F]ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LTD (GB) 2013-09-18 EP disclosed
US-7732622-B2 Naphthalene derivatives GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20080234358-A1 E-series of prostaglandin (EP) receptors; [[4-(4,9-dipropoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl) phenyl]acetic acid CONGREVE MILES STUART 2008-09-25 US disclosed
EP-1886993-A1 BENZO[F]ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-02-13 EP disclosed
US-20070088068-A1 Benzo[F]Isoindole Derivatives With Affinity To The EP4 Receptor CONGREVE MILES S 2007-04-19 US disclosed
US-7166631-B2 Benzo[f]isoindole derivatives with affinity to the EP4 receptor GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-20050080257-A1 Benzo'fisoindole derivatives with affinity to the ep4 receptor GLAXO GROUP LIMITED (GB) 2005-04-14 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 (3 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-20050080257-A1 Benzo'fisoindole derivatives with affinity to the ep4 receptor PTGER4, PTGER1, PTGER3 ALOX5 120/4885CA12 4739/4885CA1 4638/4885
US-20070088068-A1 Benzo[F]Isoindole Derivatives With Affinity To The EP4 Receptor PTGER4, PTGER1, GPR4 ALOX5 458/4885CA12 4627/4885CA1 4372/4885
US-20080234358-A1 E-series of prostaglandin (EP) receptors; [[4-(4,9-dipropoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl) phenyl]acetic acid PTGER3, OPRL1, PTGER1 ALOX5 58/4885CA12 1641/4885CA1 1292/4885

“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.