SCHEMBL23734455

SCHEMBL23734455

COc1cc(C(=O)/C(N)=C/O)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ APOBEC3A P31941 1/20 0.50
▸ APOBEC3G Q9HC16 1/20 0.50
▸ TUBB1 Q9H4B7 11/20 0.49
▸ TUBB4A P04350 6/20 0.48
▸ TUBB P07437 6/20 0.48
▸ TUBA3C P0DPH7 6/20 0.48
▸ TUBA1B P68363 6/20 0.48
▸ TUBA4A P68366 6/20 0.48
▸ TUBB4B P68371 6/20 0.48
▸ TUBB3 Q13509 6/20 0.48
▸ TUBB2A Q13885 6/20 0.48
▸ TUBB8 Q3ZCM7 6/20 0.48
▸ TUBA3E Q6PEY2 6/20 0.48
▸ TUBA1A Q71U36 6/20 0.48
▸ TUBA1C Q9BQE3 6/20 0.48
▸ TUBB6 Q9BUF5 6/20 0.48
▸ TUBB2B Q9BVA1 6/20 0.48
▸ ABCG2 Q9UNQ0 1/20 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
SCHEMBL10789120 0.82 TSHR (0.56) HTTTSHRAPOBEC3AAPOBEC3GTUBB1
SCHEMBL4625442 0.81 TUBB1 (0.58) HTTTSHRAPOBEC3AAPOBEC3GTUBB1
3,4,5-Trimethoxybenzamide SCHEMBL1326890 0.77 TSHR (0.76) HTTTSHRAPOBEC3AAPOBEC3GTUBB1
SCHEMBL23734449 0.76 TUBB1 (0.55) HTTTUBB1TUBB4ATUBBTUBA3C
SCHEMBL907576 0.76 TPMT (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
3,4,5-Trimethoxybenzamide SCHEMBL4381076 0.76 TSHR (0.73) HTTTSHRAPOBEC3AAPOBEC3GTUBB1
SCHEMBL31679677 0.74 TUBB1 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6160353 0.74 TUBB1 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4819729 0.73 TUBB4A (0.75) TSHRTUBB1TUBB4ATUBBTUBA3C
SCHEMBL20006949 0.73 TUBB1 (0.56) HTTTUBB1TUBB4ATUBBTUBA3C

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 HTT 4461/4885TSHR 4440/4885APOBEC3A 4505/4885

“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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