SCHEMBL13902853

SCHEMBL13902853

COc1cc2c(c(OC)c1OC)CCC=C2C(=O)c1ccc(CO)c(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 5/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32

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
SCHEMBL4132858 0.88 KDM4E (0.44) KDM4EHPGDMAPTMAPK1HSD17B10
SCHEMBL13902854 0.83 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1771952 0.82 KDM4E (0.42) KDM4EHPGDMAPTMAPK1HSD17B10
SCHEMBL1771681 0.81 KDM4E (0.41) KDM4EHPGDMAPTMAPK1HSD17B10
SCHEMBL1771677 0.81 KDM4E (0.41) KDM4EHPGDMAPTMAPK1HSD17B10
SCHEMBL5011572 0.80 KDM4E (0.43) KDM4EHPGDMAPTTDP1ALDH1A1
SCHEMBL4125220 0.77 KDM4E (0.46) KDM4EHPGDMAPTMAPK1HSD17B10
SCHEMBL16986780 0.75 TUBB1 (0.46) KDM4EHPGDMAPTMAPK1HSD17B10
SCHEMBL4132808 0.75 TUBB1 (0.55) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4131380 0.69 TUBB4A (0.45) ALDH1A1CYP3A4TUBB4ATUBBTUBA3C

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-8394859-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2013-03-12 US disclosed
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity BAYLOR UNIVERSITY 2009-03-19 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-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 KDM4E 4221/4885HPGD 3200/4885MAPT 77/4885

“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.