SCHEMBL318776

SCHEMBL318776

COc1ccc2c(c1[N+](=O)[O-])C1CCCCC1CC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C19 P33261 4/20 0.35
CYP3A4 P08684 3/20 0.35
CYP1A2 P05177 3/20 0.35
MAPT P10636 3/20 0.35
CYP2C9 P11712 2/20 0.35
ACHE P22303 1/20 0.35
NPC1 O15118 1/20 0.34
MAP2K3 P46734 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL10109421 1.00 MEN1 (0.38) MEN1KMT2AL3MBTL1NPSR1KDM4E
SCHEMBL10123120 0.79 NPC1 (0.38) MEN1KMT2AKDM4EMAPTACHE
SCHEMBL318028 0.78 ACHE (0.47) KDM4EPOLBMAPTACHENPC1
SCHEMBL10108972 0.78 ACHE (0.47) KDM4EPOLBMAPTACHENPC1
SCHEMBL318212 0.75 MAP2K3 (0.35) MEN1KMT2ACYP2C19CYP3A4CYP1A2
SCHEMBL10109428 0.75 MAP2K3 (0.35) MEN1KMT2ACYP2C19CYP3A4CYP1A2
SCHEMBL10109131 0.72 ACHE (0.43) MEN1KMT2ANPSR1KDM4ETDP1
SCHEMBL317987 0.72 ACHE (0.43) MEN1KMT2ANPSR1KDM4ETDP1
SCHEMBL7311616 0.69 HPGD (0.57) MEN1KMT2AKDM4EMAPTACHE
SCHEMBL318058 0.67 LMNA (0.47) KMT2AKDM4ECYP3A4ACHENPC1

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 MEN1 2698/4885KMT2A 2706/4885L3MBTL1 3123/4885

“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.