SCHEMBL3894378

SCHEMBL3894378

CCOC(=O)C(=CNc1ccc(OC)c(C)c1)C(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.63
NPSR1 Q6W5P4 5/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 3/20 0.53
MAPT P10636 7/20 0.53
KDM4E B2RXH2 5/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
RECQL P46063 1/20 0.51
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
PLIN1 O60240 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL5295046 0.90 DHODH (0.65) DHODHNPSR1MEN1KMT2AGAA
SCHEMBL18988013 0.89 DHODH (0.63) DHODHNPSR1MEN1KMT2AGAA
SCHEMBL18306129 0.87 DHODH (0.60) DHODHNPSR1MEN1KMT2AGAA
SCHEMBL15053652 0.87 DHODH (0.60) DHODHNPSR1MEN1KMT2AGAA
SCHEMBL2968074 0.87 DHODH (0.60) DHODHNPSR1MEN1KMT2AGAA
SCHEMBL10861496 0.86 DHODH (0.70) DHODHNPSR1MEN1KMT2AGAA
SCHEMBL10862397 0.85 DHODH (0.62) DHODHNPSR1MEN1KMT2AGAA
SCHEMBL18987970 0.84 DHODH (0.60) DHODHNPSR1MEN1KMT2AGAA
SCHEMBL18988001 0.84 DHODH (0.60) DHODHNPSR1MEN1KMT2AGAA
SCHEMBL10863692 0.82 DHODH (0.90) DHODHNPSR1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 DHODH 3070/4885NPSR1 868/4885MEN1 1660/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 DHODH 3018/4885NPSR1 784/4885MEN1 1711/4885

“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.