SCHEMBL21765668

SCHEMBL21765668

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TRPA1 O75762 1/20 0.41
ADORA1 P30542 1/20 0.39
CYP19A1 P11511 7/20 0.37
NAAA Q02083 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 2/20 0.32
SERPINE1 P05121 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TP53 P04637 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
SCHEMBL21765917 1.00 ALDH1A1 (0.41) ALDH1A1TRPA1ADORA1CYP19A1NAAA
SCHEMBL21765664 0.91 SERPINE1 (0.41) ALDH1A1TRPA1ADORA1CYP19A1NAAA
SCHEMBL14944752 0.90 ALDH1A1 (0.39) ALDH1A1TRPA1ADORA1NAAACYP2C19
SCHEMBL21883836 0.90 ALDH1A1 (0.44) ALDH1A1TRPA1ADORA1CYP19A1NAAA
SCHEMBL28196283 0.90
SCHEMBL21765678 0.90 ALDH1A1 (0.44) ALDH1A1TRPA1ADORA1CYP19A1NAAA
SCHEMBL2431445 0.81 NAAA (0.50) ALDH1A1TRPA1CYP19A1NAAACYP2C19
SCHEMBL4954811 0.79 CYP2C19 (0.53) ALDH1A1TRPA1CYP19A1NAAACYP2C19
SCHEMBL633774 0.79 CYP2C19 (0.53) ALDH1A1TRPA1CYP19A1NAAACYP2C19
SCHEMBL25946760 0.79 PLG (0.41) ALDH1A1TRPA1ADORA1CYP19A1NAAA

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-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF PARABILIS MEDICINES, INC. 2021-06-17 US disclosed
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 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-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF IAPP, VIP, NGLY1 ALDH1A1 4780/4885TRPA1 4569/4885ADORA1 4582/4885

“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.