SCHEMBL8318563

SCHEMBL8318563

COC(=O)c1cc2c(C)ccc(C)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
XDH P47989 1/20 0.49
CYP1A2 P05177 1/20 0.46
NR4A2 P43354 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
KDM4E B2RXH2 6/20 0.41
HPGD P15428 2/20 0.41
ULK1 O75385 1/20 0.41
HSD17B10 Q99714 5/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.40
BRD4 O60885 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALPL P05186 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL10093729 0.89 GLA (0.46) GLAGAAXDHCYP1A2KDM4E
SCHEMBL8322220 0.87 GLA (0.45) GLAGAAXDHCYP1A2NR4A2
SCHEMBL8320971 0.87 KDM4E (0.59) GLAGAAXDHCYP1A2NR4A2
SCHEMBL8324052 0.87 XDH (0.55) GLAGAAXDHCYP1A2NR4A2
SCHEMBL19014158 0.87 IDO1 (0.49) GLAGAAXDHCYP1A2HRH4
SCHEMBL8320394 0.87 GLA (0.45) GLAGAAXDHCYP1A2NR4A2
SCHEMBL8319614 0.87 GAA (0.62) GLAGAAXDHCYP1A2KDM4E
SCHEMBL8318535 0.87 GLA (0.45) GLAGAAXDHCYP1A2NR4A2
SCHEMBL8324172 0.86 GLA (0.44) GLAGAAXDHCYP1A2NR4A2
SCHEMBL8317583 0.85 GLA (0.43) GLAGAAXDHCYP1A2NR4A2

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
CN-101005761-B Imazalil compositions comprising alkoxylated amines JANSSEN PHARMACEUTICA NV 2010-06-16 CN disclosed
US-7538127-B2 Medicinal compounds GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
US-20090105309-A1 Medicinal Compounds GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-7294650-B2 Benzothiophen and thiochrone containing phenethanolamine derivatives for the treatment of respiratory disorders GLAXO GROUP LIMITED (GB) 2007-11-13 US disclosed
US-20070172385-A1 Benzothiophen and thiochrone containing phenethanolamine derivatives for the treatment of respiratory disorders GLAXO GROUP LIMITED (GB) 2007-07-26 US disclosed
CN-101005761-A Imazalil compositions comprising alkoxylated amines JANSSEN PHARMACEUTICA NV (BE) 2007-07-25 CN disclosed
US-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 US disclosed
US-5866594-A Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-02-02 US disclosed
EP-0791582-A1 INDOLE-2-CARBOXYLIC ESTER DERIVATIVES AND AGRICULTURAL AND HORTICULTURAL BACTERIOCIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-08-27 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-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 GLA 2236/4885GAA 3063/4885XDH 651/4885
US-20090105309-A1 Medicinal Compounds ADRB2, ADRB1, ADRB3 GLA 1661/4885GAA 2239/4885XDH 340/4885

“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.