SCHEMBL4537996

SCHEMBL4537996

C[C@H](O)CNCCCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.39
CYP2D6 P10635 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
GAA P10253 2/20 0.37
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL14923121 0.87 KDM4E (0.38) EPHX2KDM4EALDH1A1MAPK1TDP1
SCHEMBL7399474 0.85 CYP2D6 (0.38) EPHX2ALDH1A1CYP2D6TDP1GAA
SCHEMBL31226873 0.84 EPHX2 (0.44) EPHX2CYP2D6TDP1GAACA1
SCHEMBL1554908 0.82 EPHX2 (0.40) EPHX2CYP2D6TDP1GAACA1
SCHEMBL25400876 0.79 TSHR (0.38) EPHX2CYP2D6GAAMAOAMAOB
SCHEMBL26924266 0.79 CYP2D6 (0.42) MAPK1CYP2D6CA1CA2CA7
SCHEMBL25525668 0.79 MAOA (0.42) EPHX2CYP2D6TDP1GAACA1
SCHEMBL9891443 0.79 MAOA (0.46) EPHX2CYP2D6TDP1GAACA1
SCHEMBL20674794 0.79 EPHX2 (0.41) EPHX2TDP1GAAMAOAMAOB
SCHEMBL26924263 0.79 CYP2D6 (0.42) MAPK1CYP2D6CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 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 (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-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT EPHX2 1008/4885KDM4E 3800/4885ALDH1A1 318/4885

“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.