SCHEMBL4090952

SCHEMBL4090952

COc1cc(Cl)ccc1Oc1ccccc1CC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.73
SLC6A2 P23975 6/20 0.64
SLC6A4 P31645 6/20 0.64
SLC6A3 Q01959 5/20 0.64
KCNH2 Q12809 1/20 0.64
CXCL8 P10145 2/20 0.61
GAA P10253 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.52
TTR P02766 1/20 0.51
CAMK2A Q9UQM7 1/20 0.50
PTGDR2 Q9Y5Y4 2/20 0.48
HSD17B10 Q99714 1/20 0.48

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
Fenclofenac SCHEMBL28279765 0.85 CHRM1 (1.00) CHRM1SLC6A2SLC6A4SLC6A3CXCL8
Fenclofenac SCHEMBL30509659 0.85 CHRM1 (1.00) CHRM1SLC6A2SLC6A4SLC6A3CXCL8
Fenclofenac SCHEMBL29438086 0.85 CHRM1 (1.00) CHRM1SLC6A2SLC6A4SLC6A3CXCL8
Fenclofenac SCHEMBL25161 0.85 CHRM1 (1.00) CHRM1SLC6A2SLC6A4SLC6A3CXCL8
Fenclofenac SCHEMBL9692633 0.83 CHRM1 (0.97) CHRM1SLC6A2SLC6A4SLC6A3CXCL8
SCHEMBL29531142 0.82 HSD17B10 (0.54) CHRM1GAAMEN1LMNAKMT2A
SCHEMBL1678581 0.82 HSD17B10 (0.54) CHRM1GAAMEN1LMNAKMT2A
SCHEMBL3870178 0.79 HSD17B10 (0.68) CHRM1GAAMEN1LMNAKMT2A
SCHEMBL155982 0.79 HSD17B10 (0.61) CXCL8MEN1LMNAKMT2ATTR
SCHEMBL29431297 0.79 HSD17B10 (0.61) CXCL8MEN1LMNAKMT2ATTR

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
US-20090221687-A1 Tetracyclic Monoamine Reuptake Inhibitors for Treatment of Cns Diseases and Disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB (HR) 2009-09-03 US disclosed
EP-1846414-A1 TETRACYCLIC MONOAMINE REUPTAKE INHIBITORS FOR TREATMENT OF CNS DISEASES AND DISORDERS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-10-24 EP disclosed
WO-2006109190-A1 TETRACYCLIC MONOAMINE REUPTAKE INHIBITORS FOR TREATMENT OF CNS DISEASES AND DISORDERS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2006-10-19 WO 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-20090221687-A1 Tetracyclic Monoamine Reuptake Inhibitors for Treatment of Cns Diseases and Disorders MAOB, MAOA, TPH1 CHRM1 378/4885SLC6A2 8/4885SLC6A4 16/4885

“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.