SCHEMBL13779378

SCHEMBL13779378

CCOC(=O)C(=O)Nc1c(C)cccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.61
NLRP3 Q96P20 2/20 0.59
GAA P10253 4/20 0.56
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 4/20 0.54
PKM P14618 1/20 0.51
SCN3A Q9NY46 3/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SCN1A P35498 2/20 0.50
SCN2A Q99250 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
MC4R P32245 1/20 0.50
SCN4A P35499 1/20 0.50
MC3R P41968 1/20 0.50

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
SCHEMBL163242 0.88 GPR35 (0.52) GPR35NLRP3GAAALDH1A1L3MBTL1
SCHEMBL4620639 0.85 GPR35 (0.50) GPR35NLRP3GAAALDH1A1L3MBTL1
SCHEMBL7322003 0.84 ALDH1A1 (0.54) GPR35NLRP3GAAALDH1A1L3MBTL1
SCHEMBL18415563 0.83 ALDH1A1 (0.59) NLRP3GAAALDH1A1L3MBTL1MAPT
SCHEMBL11445390 0.83 GPR35 (0.67) GPR35NLRP3GAAALDH1A1L3MBTL1
SCHEMBL22390769 0.83 NLRP3 (0.61) GPR35NLRP3GAAALDH1A1L3MBTL1
SCHEMBL23352324 0.82 NLRP3 (0.59) GPR35NLRP3GAAALDH1A1MAPT
SCHEMBL9359788 0.81 NLRP3 (0.78) NLRP3ALDH1A1MAPTSCN3ALMNA
SCHEMBL15144499 0.81 GAA (0.73) GPR35NLRP3GAAALDH1A1L3MBTL1
SCHEMBL31649002 0.81 GAA (0.71) GPR35GAAALDH1A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 US disclosed
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 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 (1 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-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction PRKCH, AIP, PRKCE GPR35 1625/4885NLRP3 3664/4885GAA 941/4885

“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.