SCHEMBL3929159

SCHEMBL3929159

CNC(=O)c1cc(C)cc(/C=C/C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 19/20 0.49
AKR1C4 P17516 13/20 0.49
AKR1C2 P52895 11/20 0.49
AKR1C1 Q04828 4/20 0.49

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
SCHEMBL3929163 1.00 AKR1C3 (0.49) AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL17538032 0.80 KDM4E (0.53) AKR1C3AKR1C2
SCHEMBL4841031 0.80 KDM4E (0.53) AKR1C3
SCHEMBL4841041 0.80 KDM4E (0.53) AKR1C3
SCHEMBL3934286 0.80 MMP13 (0.40)
SCHEMBL8173545 0.77 PKM (0.60)
SCHEMBL8173551 0.77 PKM (0.60)
SCHEMBL15492141 0.76 HDAC8 (0.52)
SCHEMBL1003295 0.76 TPMT (0.54)
SCHEMBL6644786 0.76 HDAC2 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 AKR1C3 763/4885AKR1C4 1084/4885AKR1C2 786/4885

“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.