SCHEMBL2741701

SCHEMBL2741701

COc1ccc(-c2cc3ccc(OC)cc3[nH]2)c([N+](C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
ITK Q08881 5/20 0.46
FLT3 P36888 4/20 0.44
PDGFRB P09619 2/20 0.44
PDGFRA P16234 1/20 0.44
AURKA O14965 2/20 0.43
KDR P35968 2/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
CCNB2 O95067 1/20 0.43
ABL1 P00519 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
SRC P12931 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
WEE1 P30291 1/20 0.43
TTK P33981 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
SCHEMBL225023 0.89 ALDH1A1 (0.47) CA2ITKFLT3PDGFRBPDGFRA
SCHEMBL6923954 0.81 KMT2A (0.53) CA2ITKFLT3PDGFRBPDGFRA
SCHEMBL2875608 0.79 MAPT (0.55) ITKFLT3PDGFRBPDGFRAAURKA
SCHEMBL7945775 0.73 KDM4E (0.73) CA2ITKFLT3PDGFRBAURKA
SCHEMBL3986894 0.72 ITK (0.53) CA2ITKFLT3PDGFRBPDGFRA
SCHEMBL2879184 0.72 MAPT (0.54) CA2ITKRAB9ANPC1KDM4E
SCHEMBL5636171 0.71 MAPT (0.46) CA2ITKPDGFRBPDGFRARAB9A
SCHEMBL435522 0.71 AXL (0.72) CA2ITKFLT3PDGFRBPDGFRA
SCHEMBL3699661 0.71 KDM4E (0.77) CA2ITKFLT3PDGFRBPDGFRA
SCHEMBL22245777 0.70 KDM4E (0.55) CA2ITKFLT3PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 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-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CA2 488/4885ITK 4358/4885FLT3 3380/4885

“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.