SCHEMBL21901982

SCHEMBL21901982

CCOC(=O)COCCCCCCCBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TRPA1 O75762 1/20 0.47
CES2 O00748 2/20 0.44
CYP1A2 P05177 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
FAAH O00519 1/20 0.39
NAAA Q02083 1/20 0.37
DGKA P23743 1/20 0.37
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL17286168 1.00 ALDH1A1 (0.47) ALDH1A1TRPA1CES2CYP1A2GAA
SCHEMBL9773565 1.00 ALDH1A1 (0.47) ALDH1A1TRPA1CES2CYP1A2GAA
SCHEMBL22906936 1.00 ALDH1A1 (0.47) ALDH1A1TRPA1CES2CYP1A2GAA
SCHEMBL6137569 1.00 ALDH1A1 (0.47) ALDH1A1TRPA1CES2CYP1A2GAA
SCHEMBL5219102 0.98 ALDH1A1 (0.48) ALDH1A1TRPA1CES2CYP1A2GAA
SCHEMBL16147050 0.92 ALDH1A1 (0.50) ALDH1A1TRPA1CES2CYP1A2GAA
SCHEMBL21070768 0.90 CES2 (0.52) ALDH1A1TRPA1CES2CYP1A2GAA
SCHEMBL8988864 0.88 CES2 (0.50) ALDH1A1TRPA1CES2CYP1A2GAA
SCHEMBL23720522 0.87 ALDH1A1 (0.45) ALDH1A1TRPA1CES2CYP1A2GAA
SCHEMBL24882784 0.86 GAA (0.48) ALDH1A1TRPA1CES2CYP1A2GAA

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-20210380579-A1 PROTEOLYSIS TARGETING CHIMERA (PROTACS) AS DEGRADERS OF SMARCA2 AND /OR SMARCA4 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-09 US disclosed
WO-2020078933-A1 PROTEOLYSIS TARGETING CHIMERA (PROTACS) AS DEGRADERS OF SMARCA2 AND/OR SMARCA4 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-23 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-20210380579-A1 PROTEOLYSIS TARGETING CHIMERA (PROTACS) AS DEGRADERS OF SMARCA2 AND /OR SMARCA4 SMARCC1, SMARCA4, SMARCA1 ALDH1A1 2957/4885TRPA1 4522/4885CES2 2326/4885

“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.