SCHEMBL10130747

SCHEMBL10130747

CC(C)Cc1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
DAO P14920 1/20 0.46
CA1 P00915 1/20 0.45
TSHR P16473 3/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP1 P09874 1/20 0.42
MAPT P10636 1/20 0.41
TYMP P19971 2/20 0.40
RAB9A P51151 1/20 0.40
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 1/20 0.38
UNG P13051 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
XDH P47989 1/20 0.37

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
SCHEMBL5071203 0.76 GPR84 (0.60) GPR84SMN1; SMN2CA1TSHRHSD17B10
SCHEMBL3607183 0.75 RAB9A (0.47) GPR84SMN1; SMN2CA1TSHRHSD17B10
SCHEMBL18774962 0.74 DAO (0.64) GPR84DAOPARP1MAPT
SCHEMBL9765927 0.73 GPR84 (0.53) GPR84SMN1; SMN2DAOCA1TSHR
SCHEMBL2775601 0.72 GPR84 (0.72) GPR84SMN1; SMN2CA1TSHRHSD17B10
SCHEMBL12775736 0.72 GPR84 (0.56) GPR84SMN1; SMN2CA1TSHRHSD17B10
SCHEMBL7440382 0.72 DAO (0.42) GPR84SMN1; SMN2DAOTSHRPARP1
SCHEMBL23684463 0.72 GPR84 (0.43) GPR84SMN1; SMN2DAOTSHRPARP1
SCHEMBL5289802 0.72 SLC7A5 (0.46) GPR84SMN1; SMN2TSHRHSD17B10L3MBTL1
SCHEMBL4561073 0.71 GPR84 (0.50) GPR84SMN1; SMN2CA1TSHRHSD17B10

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958919-B1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
US-9006226-B2 Dihydropteridinones I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006226-B2 Dihydropteridinones I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
WO-2014127815-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-28 WO disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20130225549-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20130225549-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (8 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 GPR84 2427/4885SMN1; SMN2 4275/4885DAO 2061/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 GPR84 2427/4885SMN1; SMN2 4275/4885DAO 2061/4885
US-20130225549-A1 DIHYDROPTERIDINONES I BACE1, APP, BACE2 GPR84 787/4885SMN1; SMN2 3830/4885DAO 2964/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 GPR84 2427/4885SMN1; SMN2 4275/4885DAO 2061/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 GPR84 2539/4885SMN1; SMN2 2806/4885DAO 2766/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 GPR84 2979/4885SMN1; SMN2 2894/4885DAO 886/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 GPR84 2056/4885SMN1; SMN2 2965/4885DAO 2082/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 GPR84 2427/4885SMN1; SMN2 4275/4885DAO 2061/4885

“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.