SCHEMBL4137771

SCHEMBL4137771

CCOC(=O)CC(=O)Cc1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.47
ERBB2 P04626 3/20 0.47
GLA P06280 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
ERBB3 P21860 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 2/20 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
SCHEMBL788672 0.88 EGFR (0.48) EGFRERBB2GLAALDH1A1MAPT
SCHEMBL30267713 0.86 EGFR (0.47) EGFRERBB2GLACYP1A2CYP3A4
SCHEMBL17111341 0.86 EGFR (0.47) EGFRERBB2GLACYP1A2CYP3A4
SCHEMBL4151444 0.86 TAAR1 (0.45) EGFRGLAALDH1A1MAPTERBB3
SCHEMBL15964598 0.86 EGFR (0.48) EGFRERBB2GLAALDH1A1MAPT
SCHEMBL6484929 0.85 KMT2A (0.51) ALDH1A1HPGDSMN1; SMN2MEN1GAA
SCHEMBL27808992 0.84 GLA (0.58) GLAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL4332278 0.82 MAOB (0.48) GLAALDH1A1MAPTHPGDHCAR2
SCHEMBL4325061 0.82 EPHX2 (0.52) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL20241752 0.82 GLA (0.53) EGFRERBB2GLAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009146696-A1 USE OF INDOLE-3-CARBOXYLIC ESTERS FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE Universität Tübingen (DE) 2009-12-10 WO disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1802587-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 EGFR 2413/4885ERBB2 2388/4885GLA 97/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 EGFR 4269/4885ERBB2 3839/4885GLA 201/4885

“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.