SCHEMBL13624111

SCHEMBL13624111

Cc1noc(C)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.64
BRD4 O60885 16/20 0.61
BRD2 P25440 5/20 0.61
BRD3 Q15059 4/20 0.49
CREBBP Q92793 1/20 0.45
ERN1 O75460 1/20 0.45
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
JAK2 O60674 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
SCHEMBL8300240 0.80 BRD4 (0.70) MLYCDBRD4BRD2BRD3CREBBP
SCHEMBL10145031 0.80 BRD4 (0.59) MLYCDBRD4BRD2BRD3CREBBP
SCHEMBL19754237 0.79 BRD4 (0.47) MLYCDBRD4BRD2BRD3
SCHEMBL4427643 0.78 MLYCD (1.00) MLYCDBRD4BRD2
SCHEMBL3885694 0.77 BRD4 (0.66) MLYCDBRD4BRD2BRD3CREBBP
SCHEMBL1772573 0.77 BRD4 (0.66) MLYCDBRD4BRD2BRD3CREBBP
SCHEMBL16404607 0.77 BRD4 (0.66) MLYCDBRD4BRD2
SCHEMBL14678367 0.77 BRD4 (0.66) MLYCDBRD4BRD2BRD3CREBBP
SCHEMBL12362813 0.77 BRD4 (0.66) MLYCDBRD4BRD2CREBBPERN1
3,5-Dimethyl-4-Phenylisoxazole SCHEMBL12134072 0.76 BRD4 (1.00) MLYCDBRD4BRD2CREBBP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF MLYCD 4298/4885BRD4 1977/4885BRD2 3288/4885

“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.