SCHEMBL15664971

SCHEMBL15664971

COc1cc(OC)cc(-c2ncn(CCO)c2-c2ccc(OC)c(F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
TNIK Q9UKE5 1/20 0.41
MAP4K4 O95819 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
NR3C2 P08235 1/20 0.40
KDM4C Q9H3R0 3/20 0.39
TGFBR1 P36897 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PTGS1 P23219 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38

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
SCHEMBL15664970 0.96 PTGS2 (0.42) PTGS2TNIKMAP4K4MAPK9CSNK1A1
SCHEMBL27934206 0.83 PHF8 (0.50) PTGS2KDM4CTGFBR1L3MBTL1PDGFRB
SCHEMBL28089176 0.81 PTGS2 (0.41) PTGS2L3MBTL1PDGFRBPDGFRAPTGS1
SCHEMBL27934237 0.79 PTGS2 (0.43) PTGS2NR3C2KDM4CTGFBR1MAPT
SCHEMBL15664969 0.79 PDGFRB (0.39) PTGS2TNIKMAPTL3MBTL1PDGFRB
SCHEMBL28805345 0.77 SMN1; SMN2 (0.42) PTGS2NR3C2MAPTL3MBTL1MAPK13
SCHEMBL28089178 0.76 ALDH1A1 (0.40) PTGS2L3MBTL1PDGFRBPDGFRAPTGS1
SCHEMBL28089068 0.76 PTGS2 (0.43) PTGS2MAPTL3MBTL1PDGFRBPDGFRA
SCHEMBL15664996 0.76 PTGS2 (0.47) PTGS2L3MBTL1PDGFRBPDGFRAPTGS1
SCHEMBL27934317 0.73 PTGS2 (0.55) PTGS2KDM4CTGFBR1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2730565-B1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2017-04-26 EP claimed
US-9139574-B2 Tumor targeted drug combretastatin A4 derivative NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-09-22 US claimed
EP-2730565-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2014-05-14 EP claimed
US-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2014-05-08 US claimed
EP-2730565-B1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2017-04-26 EP disclosed
US-9139574-B2 Tumor targeted drug combretastatin A4 derivative NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-09-22 US disclosed
EP-2730565-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2014-05-14 EP disclosed
US-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2014-05-08 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-20140128384-A1 TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE TUBA4A, TUBGCP4, TUBB4A PTGS2 4150/4885TNIK 1282/4885MAP4K4 331/4885

“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.