SCHEMBL3556429

SCHEMBL3556429

O=C(O)C(O)(c1ccc(Cl)cc1)C1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.72
NFE2L2 Q16236 1/20 0.72
CYP19A1 P11511 2/20 0.48
CHRM3 P20309 8/20 0.44
CHRM2 P08172 5/20 0.44
CHRM1 P11229 4/20 0.44
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
MIF P14174 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
SCHEMBL2062949 0.84 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL415801 0.84 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL418664 0.84 KEAP1 (1.00) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4190999 0.83 KEAP1 (0.72) KEAP1NFE2L2CYP19A1CHRM3CHRM2
SCHEMBL4632283 0.83 KEAP1 (0.72) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL198082 0.82 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2764243 0.82 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL7269393 0.82 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL1235433 0.82 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3909615 0.82 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930490-A Preparation method of glycopyrronium bromide impurity reference substance 北京康派森医药科技有限公司 2025-05-06 CN disclosed
US-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 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-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR KEAP1 1658/4885NFE2L2 1332/4885CYP19A1 156/4885

“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.