SCHEMBL7791111

SCHEMBL7791111

[CH2]Cc1ccc(OCC(C)C)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
GAA P10253 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
CA2 P00918 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
XDH P47989 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL677527 0.91 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL580059 0.83 NPC1 (0.54) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL20314711 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL28069114 0.83 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL24947871 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL27939594 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL217601 0.82 CA2 (0.68) ALDH1A1GAAKDM4EMAPTCA2
Methoxymethane SCHEMBL28899626 0.81 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL2125045 0.81 CALM1 (0.61) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL7318821 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010031758-A1 Substituted 9H-pyridino[2,3-b] indole and 9H-pyrimidino[4,5-b] indole derivatives: selective neuropeptide Y receptor ligands NEUROGEN CORPORATION 2001-10-18 US claimed
US-6221875-B1 TREATING FEEDING DISORDERS, OBESITY, BULIMIA NERVOSA OR HYPERTENSION IN A MAMMAL NEUROGEN CORPORATION 2001-04-24 US claimed
WO-1999051598-A1 SUBSTITUTED 9H-PYRIDINO[2,3-b]INDOLE AND 9H-PYRIMIDINO[4,5-b]INDOLE DERIVATIVES: SELECTIVE NEUROPEPTIDE y RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-10-14 WO claimed

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-20010031758-A1 Substituted 9H-pyridino[2,3-b] indole and 9H-pyrimidino[4,5-b] indole derivatives: selective neuropeptide Y receptor ligands NPY1R, NPY2R, NPY5R ALDH1A1 3312/4885SMN1; SMN2 2153/4885GAA 3990/4885

“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.