SCHEMBL5831320

SCHEMBL5831320

CC(C)(Cc1ccc(Oc2ccc(C=O)cc2)cc1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
PARP10 Q53GL7 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
CYP2A6 P11509 1/20 0.40
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A3 P47895 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
RAB9A P51151 1/20 0.35
ALDH3A1 P30838 1/20 0.35
KMT2A Q03164 1/20 0.35
FBP1 P09467 1/20 0.33
PTGS2 P35354 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
SCHEMBL13884484 0.86 ALDH3A1 (0.37) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL5830639 0.82 ESR1 (0.46) ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL5830171 0.79 ESR1 (0.43) ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL12802351 0.78 ALDH1A1 (0.55) ALDH1A1MAPTHPGDL3MBTL1RAB9A
SCHEMBL24181312 0.74 PARP10 (0.46) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL14763892 0.73 NPC1 (0.47) ALDH1A1LMNASMN1; SMN2MAPTTLR4
SCHEMBL8491271 0.73 MAPT (0.49) ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL31731175 0.72 PARP10 (0.45) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL833678 0.72 ALDH1A1 (0.71) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL5527114 0.72 ACHE (0.43) ALDH1A1LMNAMAPTHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041684-B2 Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2006-05-09 US disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-20020165234-A1 Selective B3 adrenergic agonists CROWELL THOMAS A (US) 2002-11-07 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
EP-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 EP disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 WO disclosed
EP-0827746-A1 Carbazole analogues as selective B3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-03-11 EP 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 (2 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-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 ALDH1A1 763/4885LMNA 2252/4885SMN1; SMN2 3203/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 ALDH1A1 723/4885LMNA 3283/4885SMN1; SMN2 3246/4885

“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.