SCHEMBL3745577

SCHEMBL3745577

COc1ccc(I)c(OC)c1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42
ABCB11 O95342 1/20 0.41
GRIN2D O15399 1/20 0.41

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
SCHEMBL318040 0.95 TSHR (0.45) TSHRMAPTTDP1TUBB4ATUBB
SCHEMBL318299 0.93 MAPK1 (0.45) TSHRABCB11TNFSF11NR3C1MEN1
SCHEMBL3751809 0.80 CYP1A1 (0.40) MAPTTDP1KMT2AKDM4EALDH1A1
SCHEMBL31571429 0.80 CYP1A1 (0.40) MAPTTDP1KMT2AKDM4EALDH1A1
SCHEMBL151821 0.79 TSHR (0.55) TSHRMAPTTDP1TUBB4ATUBB
SCHEMBL318039 0.76 TSHR (0.49) TSHRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3755885 0.75 MAPK1 (0.56) TSHRMAPTTDP1TUBB4ATUBB
SCHEMBL3211185 0.75 MAPK1 (0.35) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL27938042 0.73 PDE4D (0.47) TSHRMAPTTDP1TUBB4ATUBB
SCHEMBL31013129 0.73 ALDH1A1 (0.43) MAPTTDP1MAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557982-B2 Tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2013-10-15 US disclosed
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2012-12-06 US disclosed
US-8278290-B2 Tubulin polymerisation inhibitors Biononics Limited (AU) 2012-10-02 US disclosed
US-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2010-11-18 US disclosed
EP-1848704-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS Bionomics Limited (AU) 2007-10-31 EP disclosed
WO-2006084338-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2006-08-17 WO 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 (2 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-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBA1C, TUBB TSHR 4488/4885MAPT 27/4885TDP1 411/4885
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBA1C, TUBB TSHR 4488/4885MAPT 27/4885TDP1 411/4885

“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.