SCHEMBL5489867

SCHEMBL5489867

COC(=O)C1CCC(c2ccc(Cl)cc2Cl)C1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 1/20 0.42
PDE5A O76074 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL7027734 0.99 TP53 (0.44) TP53CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL5896818 0.80 GPBAR1 (0.48) TP53SLC6A3
SCHEMBL3273746 0.79 MAPK1 (0.51) TP53KDM4EGAAMAPK1MEN1
SCHEMBL5493022 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EGAASMN1; SMN2MAPK1
SCHEMBL513682 0.74 GPBAR1 (0.48) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL5896844 0.73 DDB1 (0.42) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL5112335 0.73 ALDH1A1 (0.46) TP53CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL512937 0.72 PKM (0.51) TP53CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL23670494 0.71 P2RX7 (0.46) ALDH1A1PDE5A
SCHEMBL19285262 0.71 P2RX7 (0.46) ALDH1A1PDE5A

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-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 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-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 TP53 3584/4885CYP2C9 1169/4885CYP2C19 477/4885

“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.