SCHEMBL4125922

SCHEMBL4125922

COC(=O)c1c(C)c(C(=O)c2cccc(OC(F)(F)F)c2)cc(C(C)(C)C)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
KAT6A Q92794 3/20 0.38
HDAC8 Q9BY41 1/20 0.37
LTC4S Q16873 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
DDR1 Q08345 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPD P32754 1/20 0.36
BRAF P15056 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL4117083 0.82 PTGS1 (0.39) KAT6AHDAC8KDM4EL3MBTL1
SCHEMBL4122832 0.81 LTC4S (0.43) MRGPRX4TAS1R3TAS1R1TAS1R2KAT6A
SCHEMBL4134212 0.81 ALDH1A1 (0.41) PTPN1NPC1RAB9A
SCHEMBL4134426 0.80 ALDH1A1 (0.46) NPC1RAB9ATDP1
SCHEMBL4128093 0.80 TDP1 (0.43) NPC1RAB9AKDM4ETDP1L3MBTL1
SCHEMBL4115886 0.78 SMN1; SMN2 (0.38) CNR2KDM4E
SCHEMBL4113737 0.78 TAS1R3 (0.39) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL4123787 0.76 MAPT (0.41) NPC1RAB9AKDM4E
SCHEMBL7055657 0.72 MRGPRX4 (0.63) PTPN1MRGPRX4NPC1RAB9ATAS1R3
SCHEMBL4121697 0.72 MAPT (0.44) PTPN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 PTPN1 1748/4885MRGPRX4 84/4885NPC1 990/4885

“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.