SCHEMBL5069897

SCHEMBL5069897

COc1ccc(/C(O)=C/c2cc(OC)c(OC)c(OC)c2)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 9/20 0.57
▸ ALDH1A1 P00352 1/20 0.51
▸ NQO1 P15559 2/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ TUBB4A P04350 3/20 0.47
▸ TUBB P07437 3/20 0.47
▸ TUBA3C P0DPH7 3/20 0.47
▸ TUBA1B P68363 3/20 0.47
▸ TUBA4A P68366 3/20 0.47
▸ TUBB4B P68371 3/20 0.47
▸ TUBB3 Q13509 3/20 0.47
▸ TUBB2A Q13885 3/20 0.47
▸ TUBB8 Q3ZCM7 3/20 0.47
▸ TUBA3E Q6PEY2 3/20 0.47

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
SCHEMBL27516623 0.83 MEN1 (0.67) TUBB1ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL17938786 0.80 TUBB1 (0.59) TUBB1ALDH1A1NQO1CYP1A2HPGD
SCHEMBL12677571 0.74 TUBB1 (0.69) TUBB1ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL28902774 0.74 ALDH1A1 (0.81) TUBB1ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL28902757 0.73 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28902753 0.73 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Phosphoric Acid SCHEMBL5071092 0.72 TUBB1 (0.83) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5608127 0.72 TUBB1 (1.00) TUBB1NQO1TUBB4ATUBBTUBA3C
SCHEMBL31652866 0.71 ALDH1A1 (0.76) ALDH1A1CYP1A2CYP2D6HPGDCYP2C19
SCHEMBL36091 0.71 ALDH1A1 (0.76) ALDH1A1CYP1A2CYP2D6HPGDCYP2C19

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
US-RE45907-E1 Functionalized stilbene derivatives as improved vascular targeting agents OXIGENE, INC. (US) 2016-03-01 — — US disclosed
US-7384925-B2 2' Hydroxy-3'-bromo-3,4,4',5-tetramethoxy-(Z)-stilbene; antimitotic agent; inhibits the assembly of tubulin into microtubules; anticarcinogenic: solid tumor cancers, neovascularization; tubulin-binding stilbenoid analogs structurally related to combretastatin A-1 and A-4 (extract from willow tree) OXIGENE, INC. (US) 2008-06-10 — — US disclosed
US-20060035868-A1 Functionalized stilbene derivatives as improved vascular targeting agents MATEON THERAPEUTICS, INC. 2006-02-16 — — 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-20060035868-A1 Functionalized stilbene derivatives as improved vascular targeting agents FLT1, FLT4, KDR TUBB1 9/4885ALDH1A1 288/4885NQO1 2431/4885

“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.

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