SCHEMBL30163547

SCHEMBL30163547

COc1cc(C=C2C(=O)c3ccccc3N2C(C)=O)ccc1OCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ POLB P06746 3/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ CSNK2A2 P19784 2/20 0.46
▸ CSNK2B P67870 2/20 0.46
▸ CSNK2A1 P68400 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ APP P05067 2/20 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
SCHEMBL30163485 0.91 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL31428792 0.89 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL31428936 0.89 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL31428917 0.88 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL31429081 0.88 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL31428961 0.87 MAPT (0.51) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL31428963 0.87 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL31428829 0.87 KDM4E (0.58) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL31428790 0.86 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL30163514 0.85 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 — — US disclosed
WO-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 — — WO 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS ALDH1A1 2352/4885MAPT 4513/4885SMN1; SMN2 4832/4885

“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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