SCHEMBL23734331

SCHEMBL23734331

CN/C(=C\N)C(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 8/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TUBB4A P04350 4/20 0.45
▸ TUBB P07437 4/20 0.45
▸ TUBA3C P0DPH7 4/20 0.45
▸ TUBA1B P68363 4/20 0.45
▸ TUBA4A P68366 4/20 0.45
▸ TUBB4B P68371 4/20 0.45
▸ TUBB3 Q13509 4/20 0.45
▸ TUBB2A Q13885 4/20 0.45
▸ TUBB8 Q3ZCM7 4/20 0.45
▸ TUBA3E Q6PEY2 4/20 0.45
▸ TUBA1A Q71U36 4/20 0.45
▸ TUBA1C Q9BQE3 4/20 0.45
▸ TUBB6 Q9BUF5 4/20 0.45
▸ TUBB2B Q9BVA1 4/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL19465037 0.78 ALDH1A1 (0.54) TUBB1ALDH1A1HPGDTUBB4ATUBB
SCHEMBL4625442 0.77 TUBB1 (0.58) TUBB1ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL8590728 0.76 ALDH1A1 (0.51) TUBB1ALDH1A1HPGDTUBB4ATUBB
SCHEMBL4143482 0.74 ALDH1A1 (0.77) ALDH1A1HPGDMEN1KMT2A
SCHEMBL31679677 0.74 TUBB1 (0.54) TUBB1ALDH1A1HPGDTUBB4ATUBB
SCHEMBL10789120 0.74 TSHR (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23734455 0.72 HTT (0.50) TUBB1ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL23734449 0.72 TUBB1 (0.55) TUBB1ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL907576 0.72 TPMT (0.56) TUBB1ALDH1A1HPGDTUBB4ATUBB
SCHEMBL8269871 0.72 PDE4A (0.59) TUBB1ALDH1A1TUBB4ATUBBTUBA3C

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-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 — — 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-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 TUBB1 132/4885ALDH1A1 209/4885HPGD 522/4885

“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.

Send feedback