SCHEMBL17834014

SCHEMBL17834014

COc1cc(/C=C/c2ccc(B(C)O)cc2)cc(OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 16/20 0.63
TUBB4A P04350 11/20 0.63
TUBB P07437 11/20 0.63
TUBA3C P0DPH7 11/20 0.63
TUBA1B P68363 11/20 0.63
TUBA4A P68366 11/20 0.63
TUBB4B P68371 11/20 0.63
TUBB3 Q13509 11/20 0.63
TUBB2A Q13885 11/20 0.63
TUBB8 Q3ZCM7 11/20 0.63
TUBA3E Q6PEY2 11/20 0.63
TUBA1A Q71U36 11/20 0.63
TUBA1C Q9BQE3 11/20 0.63
TUBB6 Q9BUF5 11/20 0.63
TUBB2B Q9BVA1 11/20 0.63
CYP19A1 P11511 1/20 0.61
NQO2 P16083 1/20 0.61
CYP1A1 P04798 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP1B1 Q16678 1/20 0.58

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
SCHEMBL9927127 0.89 TUBB1 (0.69) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6896671 0.84 TUBB1 (0.85) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4659251 0.84 TUBB1 (0.85) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL631213 0.84 TUBB1 (0.85) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9927124 0.80 TUBB4A (0.78) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15155076 0.80 TUBB1 (0.71) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16344364 0.80 TUBB1 (0.71) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5071081 0.80 BACE1 (0.72) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5071085 0.80 BACE1 (0.72) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15155079 0.80 TUBB1 (0.71) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166592-A1 BORONIC ACID DERIVATIVES OF RESVERATROL FOR ACTIVATING DEACETYLASE ENZYMES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 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-20160166592-A1 BORONIC ACID DERIVATIVES OF RESVERATROL FOR ACTIVATING DEACETYLASE ENZYMES HDAC1, BRDT, HDAC7 TUBB1 1337/4885TUBB4A 1341/4885TUBB 1080/4885

“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.