SCHEMBL10168459

SCHEMBL10168459

C=C1CCC(N2C(=O)c3cccc(Oc4ccc(OCCN(C)C)cc4)c3C2=O)C(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 18/20 0.54
DDB1 Q16531 16/20 0.54
IKZF3 Q9UKT9 2/20 0.43
TNF P01375 1/20 0.43
IL1B P01584 1/20 0.43
TBXA2R P21731 1/20 0.43
IKZF1 Q13422 1/20 0.43
AR P10275 1/20 0.42
ESR1 P03372 1/20 0.41
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 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
SCHEMBL15507002 0.91 CRBN (0.66) CRBNDDB1IKZF3TNFIL1B
SCHEMBL10168460 0.86 DDB1 (0.55) CRBNDDB1IKZF3TNFIL1B
SCHEMBL10168470 0.86 DDB1 (0.56) CRBNDDB1IKZF3TNFIL1B
SCHEMBL10168462 0.83 DDB1 (0.52) CRBNDDB1IKZF3TNFIL1B
SCHEMBL10168461 0.83 DDB1 (0.64) CRBNDDB1IKZF3TNFIL1B
SCHEMBL19718530 0.82 CRBN (0.45) CRBNDDB1IKZF3TNFIL1B
SCHEMBL15502710 0.82 DDB1 (0.56) CRBNDDB1IKZF3TNFIL1B
SCHEMBL10168457 0.81 DDB1 (0.54) CRBNDDB1IKZF3TNFIL1B
SCHEMBL15502625 0.80 DDB1 (0.63) CRBNDDB1IKZF3TNFIL1B
SCHEMBL10168343 0.80 DDB1 (0.57) CRBNDDB1IKZF3TNFIL1B

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
US-RE46639-E1 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2017-12-19 US disclosed
US-9181216-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2015-11-10 US disclosed
US-20140073669-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2014-03-13 US disclosed
US-20120165536-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2012-06-28 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-20140073669-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 CRBN 3542/4885DDB1 2458/4885IKZF3 3179/4885
US-20120165536-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 CRBN 3542/4885DDB1 2458/4885IKZF3 3179/4885

“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.