SCHEMBL10168460

SCHEMBL10168460

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 19/20 0.55
CRBN Q96SW2 19/20 0.55
IKZF3 Q9UKT9 2/20 0.48
TNF P01375 1/20 0.48
IL1B P01584 1/20 0.48
TBXA2R P21731 1/20 0.48
IKZF1 Q13422 1/20 0.48
ALDH1A1 P00352 1/20 0.44
CHRM2 P08172 1/20 0.44
OPRM1 P35372 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL10168470 0.92 DDB1 (0.56) DDB1CRBNIKZF3TNFIL1B
SCHEMBL10168343 0.90 DDB1 (0.57) DDB1CRBNIKZF3TNFIL1B
SCHEMBL14085396 0.90 DDB1 (0.69) DDB1CRBNIKZF3TNFIL1B
SCHEMBL15502703 0.89 DDB1 (0.61) DDB1CRBNIKZF3TNFIL1B
SCHEMBL10168462 0.89 DDB1 (0.52) DDB1CRBNIKZF3TNFIL1B
SCHEMBL10168461 0.89 DDB1 (0.64) DDB1CRBNIKZF3TNFIL1B
SCHEMBL1107962 0.88 CRBN (0.58) DDB1CRBNIKZF3TNFIL1B
SCHEMBL10168457 0.87 DDB1 (0.54) DDB1CRBNIKZF3TNFIL1B
SCHEMBL10168459 0.86 CRBN (0.54) DDB1CRBNIKZF3TNFIL1B
SCHEMBL15502710 0.86 DDB1 (0.56) DDB1CRBNIKZF3TNFIL1B

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 DDB1 2458/4885CRBN 3542/4885IKZF3 3179/4885
US-20120165536-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 DDB1 2458/4885CRBN 3542/4885IKZF3 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.