SCHEMBL5830880

SCHEMBL5830880

Fn1c2ccccc2c2c(OCC3CO3)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GLA P06280 1/20 0.51
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 3/20 0.43
TSHR P16473 3/20 0.43
HIF1A Q16665 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DHFR P00374 1/20 0.39
PDK1 Q15118 1/20 0.38
HTR6 P50406 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
PKM P14618 2/20 0.35
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 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
SCHEMBL4891775 0.85 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL4900381 0.81 ALDH1A1 (0.49) ALDH1A1GLATDP1TP53TSHR
SCHEMBL28406484 0.79 ALDH1A1 (0.44) ALDH1A1GLATDP1TP53TSHR
SCHEMBL5378582 0.78 ALDH1A1 (0.43) ALDH1A1GLATDP1TP53TSHR
SCHEMBL729501 0.77 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53TSHR
SCHEMBL22357196 0.75 ALDH1A1 (0.78) ALDH1A1GLATDP1TP53TSHR
SCHEMBL679937 0.75 ALDH1A1 (0.78) ALDH1A1GLATDP1TP53TSHR
SCHEMBL29402954 0.74 ALDH1A1 (0.62) ALDH1A1GLATDP1TP53TSHR
SCHEMBL5433989 0.74 ALDH1A1 (0.62) ALDH1A1GLATDP1TP53TSHR
SCHEMBL5026215 0.74 ALDH1A1 (0.62) ALDH1A1GLATDP1TP53TSHR

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 763/4885GLA 2581/4885TDP1 4551/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 ALDH1A1 723/4885GLA 4365/4885TDP1 3833/4885

“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.