SCHEMBL16854541

SCHEMBL16854541

CC1=C(C(=O)OC(C)C)C(c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.81
ALDH1A1 P00352 12/20 0.81
TSHR P16473 2/20 0.81
GAA P10253 7/20 0.72
HPGD P15428 6/20 0.72
GLA P06280 2/20 0.72
RAB9A P51151 1/20 0.62
CASP1 P29466 4/20 0.61
HSD17B10 Q99714 3/20 0.61
RECQL P46063 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
CASP7 P55210 3/20 0.56
CCNA2 P20248 1/20 0.56
CDK2 P24941 1/20 0.56
NOTCH1 P46531 1/20 0.56
PSEN1 P49768 1/20 0.56
PSEN2 P49810 1/20 0.56
CCNA1 P78396 1/20 0.56
APH1B Q8WW43 1/20 0.56
NCSTN Q92542 1/20 0.56

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
SCHEMBL3326229 0.92 KDM4E (0.78) KDM4EALDH1A1TSHRGAAHPGD
SCHEMBL19676418 0.89 KDM4E (0.74) KDM4EALDH1A1TSHRGAAHPGD
SCHEMBL12135877 0.88 KDM4E (0.73) KDM4EALDH1A1TSHRGAAHPGD
SCHEMBL3325186 0.83 KDM4E (0.67) KDM4EALDH1A1TSHRGAAHPGD
SCHEMBL16772726 0.83 KDM4E (0.60) KDM4EALDH1A1TSHRGAAHPGD
SCHEMBL16854538 0.82 NOTCH1 (0.81) KDM4EALDH1A1TSHRGAAHPGD
SCHEMBL16854567 0.82 NOTCH1 (0.81) KDM4EALDH1A1TSHRGAAHPGD
SCHEMBL24698610 0.81 KDM4E (0.64) KDM4EALDH1A1TSHRGAAHPGD
SCHEMBL3324839 0.81 KDM4E (0.72) KDM4EALDH1A1TSHRGAAHPGD
SCHEMBL7979577 0.80 KDM4E (0.62) KDM4EALDH1A1TSHRGAAHPGD

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-9828344-B2 Inhibitors of the notch signaling pathway and secretion for use in medicine LEIBNIZ-INSTITUT FÜR ALTERSFORSCHUNG FRITZ-LIPMANN-INSTITUT e.V. (FLI) (DE) 2017-11-28 US disclosed
US-20150175548-A1 INHIBITORS OF THE NOTCH SIGNALLING PATHWAY AND SECRETION FOR USE IN MEDICINE LEIBNIZ-INSTITUT FÜR ALTERSFORSCHUNG FRITZ-LIPMANN-INSTITUT e.V. (FLI) (DE) 2015-06-25 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 (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-20150175548-A1 INHIBITORS OF THE NOTCH SIGNALLING PATHWAY AND SECRETION FOR USE IN MEDICINE NOTCH1, HES1, NOTCH2 KDM4E 2818/4885ALDH1A1 3343/4885TSHR 2134/4885

“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.