SCHEMBL5831344

SCHEMBL5831344

CCCCOC(=O)c1cc(CCC(C)(C)N)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 6/20 0.46
CYP3A4 P08684 3/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.45
S1PR4 O95977 2/20 0.45
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 2/20 0.45
S1PR5 Q9H228 1/20 0.45
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
KAT8 Q9H7Z6 2/20 0.44
TP53 P04637 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL8571887 0.90 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL5830211 0.89 TSHR (0.49) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL7591182 0.88 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL621817 0.87 TSHR (0.54) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL11573572 0.83 TSHR (0.55) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL9420871 0.82 KAT8 (0.62) TSHRALDH1A1CYP3A4MAPK1HSD17B10
Octane SCHEMBL28824317 0.82 KAT8 (0.62) TSHRALDH1A1CYP3A4MAPK1HSD17B10
Pentane SCHEMBL27636475 0.81 KAT8 (0.60) TSHRALDH1A1CYP3A4MAPK1HSD17B10
SCHEMBL4628347 0.80 TSHR (0.63) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL13737267 0.79 TSHR (0.61) TSHRTDP1L3MBTL1ALDH1A1CYP3A4

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 TSHR 269/4885TDP1 4551/4885L3MBTL1 2228/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 TSHR 247/4885TDP1 3833/4885L3MBTL1 905/4885

“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.