SCHEMBL30163498

SCHEMBL30163498

O=Cc1ccc(OCC(=O)N2CCOCC2)c(-c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.69
▸ FKBP1A P62942 3/20 0.55
▸ KDM4E B2RXH2 7/20 0.54
▸ TSHR P16473 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPT P10636 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MITF O75030 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CACNA1B Q00975 1/20 0.49
▸ APBA1 Q02410 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ USP2 O75604 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
SCHEMBL31428775 0.83 FKBP1A (0.69) ALDH1A1FKBP1AKDM4ETSHRL3MBTL1
SCHEMBL5692416 0.82 ALDH1A1 (0.77) ALDH1A1FKBP1AKDM4ETSHRMAPT
SCHEMBL31428602 0.81 ALDH1A1 (1.00) ALDH1A1FKBP1AKDM4EMAPTHTT
SCHEMBL5692309 0.81 ALDH1A1 (1.00) ALDH1A1FKBP1AKDM4EMAPTHTT
SCHEMBL31428466 0.79 ALDH1A1 (0.46) ALDH1A1FKBP1AKDM4ETSHRL3MBTL1
SCHEMBL528448 0.77 ALDH1A1 (0.72) ALDH1A1FKBP1AKDM4EL3MBTL1MAPT
SCHEMBL7316803 0.77 FKBP1A (0.67) ALDH1A1FKBP1ATSHRL3MBTL1MAPT
SCHEMBL5692472 0.76 ALDH1A1 (1.00) ALDH1A1FKBP1AKDM4EL3MBTL1MAPT
SCHEMBL3630046 0.74 ALDH1A1 (0.60) ALDH1A1FKBP1AKDM4EMAPTSMN1; SMN2
SCHEMBL8320871 0.73 ALDH1A1 (0.79) ALDH1A1FKBP1AKDM4EHTTSMN1; SMN2

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 2352/4885FKBP1A 2064/4885KDM4E 2663/4885

“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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