SCHEMBL16433665

SCHEMBL16433665

Cc1cc(C)c(C2C(=O)NC(CC3CCOCC3)C2=O)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
DAO P14920 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GAPDH P04406 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 1/20 0.30
RORC P51449 1/20 0.30
RIPK3 Q9Y572 1/20 0.30

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
SCHEMBL12687656 0.85 ACHE (0.35) ALDH1A1
SCHEMBL12687864 0.81 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL12687654 0.81 BCHE (0.30)
SCHEMBL12687865 0.80 MEN1 (0.32) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL1652645 0.75 NPC1 (0.31) NPC1RAB9ATP53
SCHEMBL16433674 0.75 DAO (0.32) DAOTP53
SCHEMBL8744701 0.72 VDR (0.32) MEN1KMT2A
SCHEMBL12688024 0.72 MMP1 (0.30)
SCHEMBL8744823 0.70 TAS1R3 (0.32) ALDH1A1MEN1KMT2AGAPDHPOLB
SCHEMBL12239229 0.69 DAO (0.34) DAO

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
EP-2661424-B1 4-(ORTHO-SUBSTITUTED-PHENYL)-5-OXO-2,5-DIHYDRO-1H-PYRROLE COMPOUNDS AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2016-10-12 EP disclosed
US-8946453-B2 Chemical compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-02-03 US disclosed
US-8946453-B2 Chemical compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-02-03 US disclosed
US-20140011845-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-01-09 US disclosed
US-20140011845-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-01-09 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-20140011845-A1 CHEMICAL COMPOUNDS CYP1B1, CYP1A1, NQO1 ALDH1A1 30/4885MAPT 3852/4885MAPK1 1514/4885

“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.