SCHEMBL24201862

SCHEMBL24201862

COC(=O)CCC(=O)Cc1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPK1 P28482 2/20 0.45
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
BACE1 P56817 1/20 0.44
PTPN1 P18031 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AKR1B10 O60218 1/20 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
SCHEMBL21061651 0.90 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL29500851 0.90 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL16094929 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL30435857 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL9101688 0.81 MEN1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9APTPN1
SCHEMBL3750320 0.81 HSD17B10 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL19783798 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL29848981 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL2435599 0.77 PDGFRB (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL1289600 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1

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-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-01-20 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-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE S1PR1, S1PR2, S1PR3 ALDH1A1 1752/4885SMN1; SMN2 4722/4885NPC1 532/4885

“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.