SCHEMBL1025883

SCHEMBL1025883

CCc1nn(C2CCCCO2)c2cc(N)c(C)cc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
RET P07949 6/20 0.36
PDE8B O95263 4/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ATR Q13535 1/20 0.33
PIK3CA P42336 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
ATAD2 Q6PL18 1/20 0.32

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
SCHEMBL1026714 0.85 GAA (0.47) GAACYP4F2CYP4A11RETPDE8B
SCHEMBL1024018 0.83 GAA (0.42) GAACYP4F2CYP4A11RETPDE4D
SCHEMBL24968874 0.81 GAA (0.47) GAACYP4F2CYP4A11RETPDE8B
SCHEMBL12282097 0.80 KMT2A (0.35) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL2144178 0.80 MAPK1 (0.39) CYP4F2CYP4A11RETPDE4APDE4B
SCHEMBL5616695 0.79 GAA (0.42) GAACYP4F2CYP4A11RETALDH1A1
SCHEMBL26872171 0.77 PDE4D (0.38) GAACYP4F2CYP4A11RETPDE4A
SCHEMBL21797029 0.76 KHK (0.35) CYP4F2CYP4A11RETPDE4APDE4B
SCHEMBL31460122 0.75 CYP4F2 (0.40) GAACYP4F2CYP4A11RETALDH1A1
SCHEMBL31543590 0.74 RXRA (0.37) GAACYP4F2CYP4A11RETPDE8B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 GAA 541/4885CYP4F2 4536/4885CYP4A11 3142/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 GAA 1870/4885CYP4F2 997/4885CYP4A11 1045/4885

“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.