SCHEMBL4538748

SCHEMBL4538748

CC(C)COC(N(C)C)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5649196 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7039046 0.69 THRB (0.44)
SCHEMBL10574849 0.67 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1572578 0.67 LMNA (0.47) ALDH1A1
SCHEMBL1495313 0.67 THRB (0.41) ALDH1A1
SCHEMBL125895 0.67
SCHEMBL3900511 0.65 ALDH1A1 (0.36) ALDH1A1
SCHEMBL24664648 0.65
SCHEMBL31697648 0.65 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3260888 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO LTD (CN) 2022-06-09 US disclosed
US-20210177828-A1 TAM FAMILY KINASE /AND CSF1R KINASE INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-06-17 US disclosed
EP-3233833-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2019-02-20 EP disclosed
EP-2078020-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-15 EP disclosed
WO-2008124848-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 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 (2 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-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE GALK1, PHKA1, PGK1 ALDH1A1 2715/4885
US-20210177828-A1 TAM FAMILY KINASE /AND CSF1R KINASE INHIBITOR AND USE THEREOF CSF1R, CSF3R, FLT3 ALDH1A1 3374/4885

“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.