SCHEMBL20919985

SCHEMBL20919985

NC(=O)OCCCCCCCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 18/20 0.56
DDB1 Q16531 15/20 0.56
ALDH1A1 P00352 1/20 0.52
CHRM2 P08172 1/20 0.52
OPRM1 P35372 1/20 0.52
IKZF3 Q9UKT9 1/20 0.52
CYP1A2 P05177 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
IKZF1 Q13422 1/20 0.47
IKZF2 Q9UKS7 1/20 0.47

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
SCHEMBL28753265 0.99 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30595229 0.94 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30241697 0.90 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29440004 0.88 CRBN (0.61) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21752073 0.88 CRBN (0.61) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22511694 0.88 CRBN (0.61) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20919946 0.88 CRBN (0.61) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30696515 0.88 CRBN (0.61) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22346816 0.88 CRBN (0.61) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29547665 0.88 CRBN (0.61) CRBNDDB1ALDH1A1CHRM2OPRM1

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-20210130368-A1 HETEROBIFUNCTIONAL COMPOUNDS WITH IMPROVED SPECIFICITY DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-05-06 US disclosed
EP-3676268-A1 HETEROBIFUNCTIONAL COMPOUNDS WITH IMPROVED SPECIFICITYFOR THE BROMODOMAIN OF BRD4 Dana-Farber Cancer Institute, Inc. (US) 2020-07-08 EP disclosed
WO-2019079701-A1 HETEROBIFUNCTIONAL COMPOUNDS WITH IMPROVED SPECIFICITYFOR THE BROMODOMAIN OF BRD4 DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-25 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-20210130368-A1 HETEROBIFUNCTIONAL COMPOUNDS WITH IMPROVED SPECIFICITY MDM2, STUB1, UBE3C CRBN 113/4885DDB1 249/4885ALDH1A1 2248/4885

“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.