SCHEMBL3500699

SCHEMBL3500699

CCCOc1ccc(-c2ccc3sc(C(=O)OCC)cc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 4/20 0.49
F10 P00742 2/20 0.49
CLK1 P49759 1/20 0.44
ACACB O00763 1/20 0.43
MAPT P10636 3/20 0.42
PTPN2 P17706 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ERBB2 P04626 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL3498640 0.86 MAPT (0.52) F9F10CLK1MAPTPTPN2
SCHEMBL3498109 0.86 F9 (0.50) F9F10CLK1LMNAL3MBTL1
SCHEMBL3500033 0.85 MAPT (0.56) F9F10MAPTPTPN2ALDH1A1
SCHEMBL3499504 0.83 F9 (0.47) F9F10MAPTPTPN2ALDH1A1
SCHEMBL3498454 0.83 MAPK14 (0.54) F9F10MAPTPTPN2ALDH1A1
SCHEMBL3498021 0.83 MAPT (0.50) F9F10MAPTPTPN2ALDH1A1
SCHEMBL3496798 0.81 PRKCI (0.46) F9F10CLK1MAPTPTPN2
SCHEMBL3499196 0.80 MAPT (0.53) F9F10CLK1MAPTPTPN2
SCHEMBL18893482 0.79 HPGD (0.51) F9F10CLK1MAPTPTPN2
SCHEMBL1391285 0.78 CLK1 (0.60) CLK1MAPTALDH1A1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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 (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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 F9 4781/4885F10 4429/4885CLK1 3974/4885

“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.