SCHEMBL4125900

SCHEMBL4125900

Cc1c(C(C)OC(C)(C)C)oc2ccc(C(=O)O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
PTGER1 P34995 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGDR Q13258 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TBXAS1 P24557 1/20 0.41
TTR P02766 6/20 0.41
THRB P10828 1/20 0.40
PFKFB3 Q16875 1/20 0.38
MCL1 Q07820 1/20 0.38
AKR1B1 P15121 1/20 0.38
ACE2 Q9BYF1 1/20 0.35
STS P08842 1/20 0.35

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
SCHEMBL976859 0.77 TP53 (0.43) KDM4EALDH1A1HPGDTP53MEN1
SCHEMBL11335568 0.73 TTR (0.53) KDM4EALDH1A1HPGDTP53MEN1
SCHEMBL11767688 0.72 KDM4E (0.51) KDM4EALDH1A1HPGDTP53MEN1
SCHEMBL11786138 0.72 KDM4E (0.50) KDM4EALDH1A1HPGDTP53MEN1
SCHEMBL11771663 0.71 ALDH1A1 (0.52) KDM4EALDH1A1HPGDTP53MEN1
SCHEMBL11770613 0.70 KDM4E (0.56) KDM4EALDH1A1HPGDTP53MEN1
SCHEMBL11768511 0.70 KDM4E (0.62) KDM4EALDH1A1HPGDTP53MEN1
SCHEMBL28320125 0.70 KDM4E (0.47) KDM4EALDH1A1HPGDTP53MEN1
SCHEMBL71110 0.68 TTR (0.68) KDM4EALDH1A1HPGDTP53MEN1
SCHEMBL10855390 0.68 TBXAS1 (0.60) KDM4EALDH1A1HPGDTP53MEN1

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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 KDM4E 1469/4885ALDH1A1 122/4885HPGD 211/4885

“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.