SCHEMBL23920016

SCHEMBL23920016

Cc1cc(C(C)C)[nH]c(=O)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.51
GAA P10253 2/20 0.51
UPP1 Q16831 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATM Q13315 2/20 0.43
ALDH1A1 P00352 9/20 0.42
HPGD P15428 5/20 0.42
GLA P06280 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 2/20 0.41
HAVCR2 Q8TDQ0 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL23920044 0.82 KDM4E (0.39) KDM4EGAAUPP1RECQLTDP1
SCHEMBL1694465 0.77 KDM4E (0.62) KDM4EGAAUPP1RECQLTDP1
SCHEMBL28456356 0.75 KDM4E (0.52) KDM4EGAAUPP1RECQLTDP1
SCHEMBL2958315 0.74 UPP1 (0.58) KDM4EGAAUPP1RECQLTDP1
SCHEMBL11306205 0.73 UPP1 (0.56) KDM4EGAAUPP1RECQLTDP1
SCHEMBL1694757 0.71 KDM4E (0.51) KDM4EGAAUPP1RECQLTDP1
SCHEMBL13277489 0.71 KDM4E (0.54) KDM4EGAAUPP1RECQLTDP1
SCHEMBL1694783 0.69 KDM4E (0.64) KDM4EGAAUPP1RECQLTDP1
SCHEMBL1694956 0.69 KDM4E (0.61) KDM4EGAAUPP1RECQLTDP1
SCHEMBL3035334 0.68 KDM4E (1.00) KDM4EGAARECQLATMALDH1A1

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-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-20210317114-A1 SMALL MOLECULE INHIBITORS OF INTERLEUKIN-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2021-10-14 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-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 KDM4E 586/4885GAA 4334/4885UPP1 4241/4885
US-20210317114-A1 SMALL MOLECULE INHIBITORS OF INTERLEUKIN-4 IL4, IL2, IL4I1 KDM4E 586/4885GAA 4334/4885UPP1 4241/4885

“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.