SCHEMBL6917530

SCHEMBL6917530

Cc1cccc(-c2c(-c3ccc4c(c3)OCCO4)ncn2C)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.47
MAPK14 Q16539 2/20 0.47
RIPK2 O43353 1/20 0.47
ACVR1B P36896 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CD274 Q9NZQ7 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
PKM P14618 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 3/20 0.41
NSD2 O96028 2/20 0.40
SYK P43405 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6808731 0.91 TGFBR1 (0.44) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL15984797 0.79 NPC1 (0.57) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL2044546 0.76 TGFBR1 (0.53) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6601316 0.73 TGFBR1 (0.50) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL15849494 0.71 TGFBR1 (0.62) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5139229 0.71 TGFBR1 (0.47) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL14576854 0.70 TGFBR1 (0.68) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4863284 0.70 KDM4E (0.64) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4864372 0.70 GAA (0.53) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL8819232 0.70 TGFBR1 (0.55) TGFBR1MAPK14RIPK2ACVR1BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039198-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2004-02-26 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-20040039198-A1 Compounds SMAD3, SMAD2, TGFBR1 TGFBR1 3/4885MAPK14 255/4885RIPK2 282/4885

“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.