SCHEMBL3906484

SCHEMBL3906484

COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1O

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.86
▸ TGFBR1 P36897 5/20 0.86
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MET P08581 2/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ PDGFRA P16234 3/20 0.45
▸ KDR P35968 2/20 0.45
▸ FGFR2 P21802 2/20 0.45
▸ KIT P10721 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL3903245 0.93 SRC (1.00) SRCTGFBR1METPDGFRAKDR
Hydrochloric Acid SCHEMBL3896851 0.92 SRC (1.00) SRCTGFBR1METPDGFRAKDR
SCHEMBL13605120 0.85 SRC (0.82) SRCTGFBR1MAPTMETPDGFRA
SCHEMBL3903938 0.85 SRC (0.84) SRCTGFBR1METPDGFRAKDR
SCHEMBL3904557 0.85 SRC (0.84) SRCTGFBR1METPDGFRAKDR
SCHEMBL3904096 0.84 SRC (0.82) SRCTGFBR1METPDGFRAKDR
SCHEMBL3891432 0.82 SRC (0.80) SRCTGFBR1METPDGFRAKDR
SCHEMBL3897600 0.82 SRC (0.78) SRCTGFBR1METAURKBPDGFRA
SCHEMBL13605053 0.82 SRC (0.78) SRCTGFBR1METKDR
SCHEMBL3894063 0.82 SRC (1.00) SRCTGFBR1METAURKBPDGFRA

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 SRC 399/4885TGFBR1 2/4885KDM4E 1176/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 SRC 496/4885TGFBR1 2/4885KDM4E 1066/4885

“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.

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