SCHEMBL5493022

SCHEMBL5493022

COC(=O)C1CCC(c2ccc(OC)cc2OC)C1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.44
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 1/20 0.41
CYP19A1 P11511 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL512937 0.82 PKM (0.51) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5897594 0.79 MMP1 (0.46) ALDH1A1KDM4EMAPK1ALOX15SMN1; SMN2
SCHEMBL5489867 0.75 TP53 (0.45) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL7027734 0.74 TP53 (0.44) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL5896844 0.72 DDB1 (0.42) ALDH1A1KDM4EALOX15MEN1KMT2A
SCHEMBL21465741 0.71 ACHE (0.41)
SCHEMBL19469507 0.71 MTNR1A (0.50) CA2CYP19A1
SCHEMBL5491056 0.71 MEN1 (0.51) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL21465742 0.70 ATM (0.41) KDM4EMAPK1MAPTSMN1; SMN2CA2
SCHEMBL10841566 0.70 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2AMAPT

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-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
EP-1383747-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2004-01-28 EP disclosed
WO-2002088095-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2002-11-07 WO 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 ALDH1A1 2269/4885KDM4E 4106/4885MAPK1 1991/4885

“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.