SCHEMBL4544309

SCHEMBL4544309

O=C(CBr)O[C@@H]1C=C[C@H](OC(=O)CBr)C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 1/20 0.30

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
SCHEMBL12157103 1.00 TRPA1 (0.34) TRPA1ALDH1A1CYP2C19
SCHEMBL4546329 1.00 TRPA1 (0.34) TRPA1ALDH1A1CYP2C19
SCHEMBL12173967 0.90
SCHEMBL4611082 0.77 CHRM2 (0.40) ALDH1A1CYP2C19
SCHEMBL4544318 0.77 CHRM2 (0.40) ALDH1A1CYP2C19
SCHEMBL12157105 0.77 CHRM2 (0.40) ALDH1A1CYP2C19
SCHEMBL31564984 0.75 ALDH1A1 (0.33) TRPA1ALDH1A1
SCHEMBL10775509 0.74 ALDH1A1 (0.44) ALDH1A1
SCHEMBL7064509 0.74 NPSR1 (0.32)
SCHEMBL14944752 0.73 ALDH1A1 (0.39) TRPA1ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed
US-9115169-B2 Method of treating tumors LYTIX BIOPHARMA AS (NO) 2015-08-25 US disclosed
US-9115169-B2 Method of treating tumors LYTIX BIOPHARMA AS (NO) 2015-08-25 US disclosed
US-20120108520-A1 Antimicrobial Compounds and Formulations LYTIX BIOPHARMA AS (NO) 2012-05-03 US disclosed
US-8048852-B2 Antimicrobial compounds and formulations LYTIX BIOPHARMA AS (NO) 2011-11-01 US disclosed
US-20100267621-A1 Antimicrobial Compounds and Formulations LYTIX BIOPHARMA AS (NO) 2010-10-21 US disclosed
US-7232803-B2 Antimicrobial compounds and formulations LYTIX BIOPHARMA AS (NO) 2007-06-19 US disclosed
US-7232803-B2 Antimicrobial compounds and formulations LYTIX BIOPHARMA AS (NO) 2007-06-19 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 (2 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-20120108520-A1 Antimicrobial Compounds and Formulations VIP, NONO, CLPTM1 TRPA1 1003/4885ALDH1A1 4792/4885CYP2C19 4104/4885
US-20100267621-A1 Antimicrobial Compounds and Formulations VIP, NONO, CLPTM1 TRPA1 1003/4885ALDH1A1 4792/4885CYP2C19 4104/4885

“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.