SCHEMBL3611033

SCHEMBL3611033

CCc1cc(Cl)c(OCOC)cc1O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ACLY P53396 1/20 0.39
HMGCR P04035 3/20 0.39
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAOA P21397 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CLCN2 P51788 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL3608255 0.79 ACLY (0.40) LMNAACLYALDH1A1HPGDKDM4E
SCHEMBL18768221 0.79 LMNA (0.40) LMNAACLYALDH1A1HPGDKDM4E
SCHEMBL1391291 0.78 ERN1 (0.41) LMNAACLYALDH1A1BACE1
SCHEMBL13767807 0.73 HPGD (0.48) LMNAALDH1A1HPGDKDM4EMAPK1
SCHEMBL3605162 0.72 KDM4E (0.44) ALDH1A1HPGDKDM4EMAPK1SMN1; SMN2
SCHEMBL70471 0.72 HSD17B10 (0.46) LMNAALDH1A1HPGDKDM4EMAPK1
SCHEMBL16736856 0.72 ALOX15 (0.47) LMNAALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL30802100 0.71 ERN1 (0.38) ACLYALDH1A1HPGDKDM4EMEN1
SCHEMBL29283664 0.71 ACLY (0.37) LMNAACLYALDH1A1HPGDKDM4E
SCHEMBL9872059 0.71 NPC1 (0.43) LMNAACLYALDH1A1HPGDMAPK1

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-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R LMNA 4306/4885ACLY 1425/4885HMGCR 786/4885

“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.