SCHEMBL31428602

SCHEMBL31428602

COc1cc(C=O)ccc1OCC(=O)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 1.00
▸ KDM4E B2RXH2 6/20 0.80
▸ HPGD P15428 1/20 0.69
▸ HSD17B10 Q99714 1/20 0.69
▸ GAA P10253 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ HTT P42858 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ MITF O75030 1/20 0.59
▸ CACNA1B Q00975 1/20 0.59
▸ APBA1 Q02410 1/20 0.59
▸ POLB P06746 2/20 0.57
▸ FKBP1A P62942 1/20 0.56
▸ TP53 P04637 1/20 0.56

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
SCHEMBL5692309 1.00 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL5692416 0.87 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL1294980 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL30163498 0.81 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL25207556 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL8220477 0.81 KDM4E (0.70) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL8220489 0.81 KDM4E (0.70) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL8220485 0.81 KDM4E (0.70) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL18456601 0.80 LMNA (0.72) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL5064247 0.79 KDM4E (0.69) ALDH1A1KDM4EHPGDGAALMNA

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 — — 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS ALDH1A1 2352/4885KDM4E 2663/4885HPGD 4233/4885

“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