SCHEMBL3929435

SCHEMBL3929435

COC(=O)C=Cc1cccc(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TYR P14679 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 1/20 0.41
TTR P02766 1/20 0.41
APP P05067 1/20 0.41
IDH1 O75874 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 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
SCHEMBL3929433 1.00 TGFBR1 (0.45) TGFBR1CA12CA1CA2TYR
SCHEMBL4584462 0.85 KDM4E (0.51) TGFBR1KMT2AKDM4ESMN1; SMN2APP
SCHEMBL1225317 0.85 KDM4E (0.49) TGFBR1CA12CA1CA2CA7
SCHEMBL4584461 0.85 KDM4E (0.51) TGFBR1KMT2AKDM4ESMN1; SMN2APP
SCHEMBL1225315 0.85 KDM4E (0.49) TGFBR1CA12CA1CA2CA7
SCHEMBL10648968 0.84 KDM4E (0.42) CA12CA1CA2TYRCA7
SCHEMBL17321806 0.82 CA12 (0.45) CA12CA1CA2TYRCA7
SCHEMBL12501357 0.81 TGFBR1 (0.44) TGFBR1KDM4ESMN1; SMN2APPIDH1
SCHEMBL2842974 0.81 GRM4 (0.47) CA12CA1CA2TYRCA7
SCHEMBL2842972 0.81 GRM4 (0.47) CA12CA1CA2TYRCA7

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 TGFBR1 3479/4885CA12 2391/4885CA1 4191/4885

“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.