SCHEMBL3929685

SCHEMBL3929685

COC(=O)CCc1cccc(OCC2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
SLC2A1 P11166 2/20 0.47
ACACA Q13085 5/20 0.46
ACACB O00763 3/20 0.46
NR1H4 Q96RI1 2/20 0.46
FFAR1 O14842 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MTNR1A P48039 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
GAA P10253 1/20 0.43
ADAM17 P78536 1/20 0.43

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
SCHEMBL22365416 0.92 SLC6A2 (0.48) KDM5AKDM4CSLC2A1ACACAACACB
SCHEMBL22365401 0.89 GLA (0.45) SLC2A1ACACAACACBCNR1CNR2
SCHEMBL22365342 0.87 SLC6A2 (0.50)
SCHEMBL22365339 0.85 EED (0.54) SLC2A1ACACAACACB
SCHEMBL20103624 0.85 FFAR1 (0.60) SLC2A1FFAR1
SCHEMBL22365321 0.84 SLC2A1 (0.61) SLC2A1CNR2
SCHEMBL11624631 0.81 SIRT2 (0.47) FFAR1MTNR1ASIRT2GAA
SCHEMBL63100 0.80 HDAC1 (0.61) MTNR1A
SCHEMBL10683288 0.80 FFAR1 (0.63) FFAR1GAA
SCHEMBL22365312 0.79 ACACB (0.44) ACACAACACBFFAR1CNR1CNR2

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
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
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 KDM5A 4673/4885KDM4C 4395/4885SLC2A1 2380/4885

“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.