SCHEMBL26425323

SCHEMBL26425323

COc1cccc(/C=C/c2ccc3c(c2)COB3C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.54
NFE2L2 Q16236 5/20 0.50
CYP19A1 P11511 1/20 0.50
NQO2 P16083 1/20 0.50
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP1B1 Q16678 2/20 0.48
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46

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
SCHEMBL26425448 0.86 PDE4B (0.56) RELANFE2L2CYP19A1NQO2CYP1A1
SCHEMBL26425331 0.83 RELA (0.40) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL26425329 0.82 RELA (0.44) RELANFE2L2FBP1
SCHEMBL26425328 0.81 RELA (0.46) RELANFE2L2CYP1A2FBP1CHRM5
SCHEMBL26425326 0.81 NFE2L2 (0.50) RELANFE2L2NQO2FBP1
SCHEMBL7862786 0.80 PDE4B (0.58)
SCHEMBL26425307 0.78 NFE2L2 (0.52) NFE2L2FBP1
SCHEMBL26425338 0.78 PDE4B (0.44) FBP1
SCHEMBL26425319 0.77 PDE4A (0.41) RELANFE2L2CYP1A2TUBB4ATUBB
SCHEMBL7866404 0.75 PDE4B (0.48)

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-20230129381-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF ANTICANCER-DRUG RESISTANT CANCERS THE GEORGE WASHINGTON UNIVERSITY 2023-04-27 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-20230129381-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF ANTICANCER-DRUG RESISTANT CANCERS TP53, ANXA5, MCL1 RELA 349/4885NFE2L2 2115/4885CYP19A1 3996/4885

“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.