SCHEMBL10123120

SCHEMBL10123120

COc1ccc2c(c1N=O)[C@@H]1CCCC[C@@H]1CC2=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ACHE P22303 3/20 0.35
PDE4A P27815 5/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
PDE4D Q08499 5/20 0.34
MAP2K3 P46734 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 2/20 0.33
KLK7 P49862 1/20 0.33

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
SCHEMBL10108972 0.79 ACHE (0.47) NPC1ACHEKDM4ELMNARAB9A
SCHEMBL318028 0.79 ACHE (0.47) NPC1ACHEKDM4ELMNARAB9A
SCHEMBL318776 0.79 MEN1 (0.38) NPC1KMT2AMEN1ACHEPDE4A
SCHEMBL10109421 0.79 MEN1 (0.38) NPC1KMT2AMEN1ACHEPDE4A
SCHEMBL10109131 0.72 ACHE (0.43) NPC1KMT2AMEN1ACHEALDH1A1
SCHEMBL317987 0.72 ACHE (0.43) NPC1KMT2AMEN1ACHEALDH1A1
SCHEMBL7311616 0.69 HPGD (0.57) NPC1KMT2AMEN1ACHEALDH1A1
SCHEMBL318058 0.68 LMNA (0.47) NPC1KMT2AACHEMAP2K3ALDH1A1
SCHEMBL10108810 0.68 LMNA (0.47) NPC1KMT2AACHEMAP2K3ALDH1A1
SCHEMBL10108843 0.65 LMNA (0.47) ACHEMAP2K3ALDH1A1KDM4ELMNA

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-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG NPC1 2576/4885KMT2A 2706/4885MEN1 2698/4885

“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.