SCHEMBL13741192

SCHEMBL13741192

CC(C)Cc1ccc[n+]([O-])c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 16/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
HTRA1 Q92743 1/20 0.38

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
SCHEMBL28551561 0.85 L3MBTL1 (0.44) GPR84L3MBTL1HTRA1
SCHEMBL1026110 0.77
SCHEMBL9911347 0.76 GPR84 (0.43) GPR84
SCHEMBL317674 0.74
SCHEMBL9911359 0.74 PDE4A (0.40)
SCHEMBL18359061 0.73 GPR84 (0.56) GPR84
SCHEMBL7540024 0.73 GPR84 (0.51) GPR84
SCHEMBL2268746 0.73 GPR84 (0.41) GPR84L3MBTL1
SCHEMBL9911532 0.73 GPR84 (0.48) GPR84
SCHEMBL9911555 0.73 GPR84 (0.44) GPR84L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors HOCHGURTEL MATTHIAS 2008-09-11 US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 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 (3 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 GPR84 2712/4885L3MBTL1 2080/4885HTRA1 4278/4885
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 GPR84 4104/4885L3MBTL1 4474/4885HTRA1 240/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 GPR84 4000/4885L3MBTL1 4501/4885HTRA1 236/4885

“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.