SCHEMBL30077160

SCHEMBL30077160

CC(CCOCCOCCC(C)(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1)(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ PKM P14618 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PGR P06401 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ DRD1 P21728 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HTR1A P08908 1/20 0.51

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
SCHEMBL10085751 0.88 HTR1A (0.57) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL14275911 0.85 HTR1A (0.59) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL10086372 0.80 NPC1 (0.63) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL11316620 0.77 NPC1 (0.58) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL10085905 0.76 NPC1 (0.69) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL22971568 0.76 NPC1 (0.69) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL10086530 0.73 NPC1 (0.61) NPC1RAB9ASMN1; SMN2PKMTP53
Acetic Acid SCHEMBL3681231 0.73 NPC1 (0.83) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL11316854 0.72 NPC1 (0.56) NPC1RAB9ASMN1; SMN2PKMTP53
Propionic Acid SCHEMBL1764372 0.72 NPC1 (0.76) NPC1RAB9ASMN1; SMN2PKMTP53

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-20220347305-A1 CONTROLLED RELEASE DRUG DIMERS RIPPLE THERAPEUTICS CORPORATION (CA) 2022-11-03 — — 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-20220347305-A1 CONTROLLED RELEASE DRUG DIMERS ABCB1, IAPP, CFTR NPC1 299/4885RAB9A 1682/4885SMN1; SMN2 137/4885

“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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