SCHEMBL1026680

SCHEMBL1026680

Cc1cc2cnn(C3CCCCO3)c2cc1N(CC(=O)O)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
POLB P06746 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
ATR Q13535 5/20 0.33
ABL1 P00519 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MAPK1 P28482 2/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL1026231 0.96 RXRA (0.53) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1074882 0.87 RXRA (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1028903 0.84 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1027810 0.84 RXRA (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL18398917 0.82 RXRA (0.61) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1027614 0.81 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL11955779 0.80 RXRA (0.35) RXRARXRBRXRGPOLBMAPK1
SCHEMBL20437571 0.79 RXRA (0.51) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL18399068 0.78 RXRA (0.51) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20437973 0.76 RXRA (0.48) RXRARXRBRXRGCYP4F2CYP4A11

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 9 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
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
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
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 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 RXRA 3569/4885RXRB 3538/4885RXRG 2849/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 RXRA 4361/4885RXRB 4014/4885RXRG 4339/4885

“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.