SCHEMBL29317895

SCHEMBL29317895

COC(=O)c1cc(OC)cc(Oc2ncnc3sccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
LMNA P02545 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 4/20 0.60
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
KDR P35968 4/20 0.51
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.48
NCOA1 Q15788 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
MRGPRX1 Q96LB2 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL29186533 0.89 RAB9A (0.64) RAB9ALMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL29317879 0.81 SMN1; SMN2 (0.44) RAB9ALMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL30050319 0.79 KDR (0.61) KDRPDGFRBFLT4
SCHEMBL29317869 0.79 KDR (0.61) KDRPDGFRBFLT4
SCHEMBL29317891 0.75 MET (0.44) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL29318810 0.72 KDR (0.41) RAB9ANPC1KDM4EMAPTKDR
SCHEMBL30051499 0.72 KDR (0.41) RAB9ANPC1KDM4EMAPTKDR
SCHEMBL23937935 0.72 RAB9A (0.71) RAB9ALMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL26978589 0.70 ALDH1A1 (1.00) RAB9ALMNASMN1; SMN2NPC1ALDH1A1
Methyl 3,5-Dimethoxybenzoate SCHEMBL204865 0.70 CA1 (0.61) RAB9ALMNASMN1; SMN2NPC1ALDH1A1

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-20240239806-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CHENGDU ANTICANCER BIOSCIENCE LTD (CN) 2024-07-18 US disclosed
US-20240239806-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CHENGDU ANTICANCER BIOSCIENCE LTD (CN) 2024-07-18 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-20240239806-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CYP27A1, CPT1A, OAT RAB9A 2220/4885LMNA 1113/4885SMN1; SMN2 672/4885

“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.