SCHEMBL1850897

SCHEMBL1850897

CCOC(=O)c1cccc(-c2cccc3c(C)c(CO)sc23)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.45
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
GALR1 P47211 1/20 0.42
IMPDH2 P12268 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL1849813 0.90 PRKDC (0.44) PRKDCHPGDTP53POLBCYP4F2
SCHEMBL1852488 0.87 TRPM8 (0.41) HPGDPOLBCYP4F2CYP4A11IMPDH2
SCHEMBL1850978 0.82 GPR52 (0.49) HPGDKDM4EMEN1NPC1ALDH1A1
SCHEMBL1849032 0.81 GPR52 (0.49) PRKDCHPGDTP53POLBCYP4F2
SCHEMBL1852600 0.81 PRKDC (0.40) PRKDCHPGDTP53POLBNPC1
SCHEMBL1852205 0.79 GPR52 (0.47) HPGDKDM4EMEN1NPC1ALDH1A1
SCHEMBL1848922 0.78 GPR52 (0.46) PRKDCHPGDTP53POLBCYP4F2
SCHEMBL1850600 0.78 TP53 (0.44) PRKDCHPGDTP53POLBCYP4F2
SCHEMBL1850410 0.78 GPR52 (0.47) PRKDCHPGDTP53POLBCYP4F2
SCHEMBL1847545 0.78 TRPM8 (0.39) PRKDCHPGDPOLBGALR1IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 PRKDC 4721/4885HPGD 2979/4885TP53 3403/4885

“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.