SCHEMBL4121201

SCHEMBL4121201

COC(=O)c1c(C)c(Nc2ccc(Cl)cc2)cc(C(C)(C)C)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
POLB P06746 3/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
XBP1 P17861 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK14 Q16539 2/20 0.41
RAF1 P04049 1/20 0.41
ALOX5 P09917 1/20 0.40
SLC2A1 P11166 1/20 0.38
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL4123542 0.77 GLRA3 (0.49) MAPTMEN1KMT2AAKR1C3AKR1C2
SCHEMBL4126942 0.76 ALPL (0.42) MAPTTP53KDM4ENPSR1CNR1
SCHEMBL4121697 0.74 MAPT (0.44) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL4135380 0.73 NPC1 (0.49) MAPTPOLBLMNASMN1; SMN2NPSR1
SCHEMBL4135377 0.73 NPC1 (0.49) MAPTPOLBLMNASMN1; SMN2NPSR1
SCHEMBL4126176 0.72 TSHR (0.39) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL4114975 0.72 ALDH1A1 (0.39) MAPTPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4134604 0.71 SLC6A3 (0.41) MAPTKMT2AAKR1C3AKR1C2LMNA
SCHEMBL4128012 0.71 MAPT (0.44) MAPTMEN1KMT2ALMNATP53
SCHEMBL4113737 0.70 TAS1R3 (0.39) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1

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 MAPT 3830/4885MEN1 2512/4885KMT2A 2465/4885

“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.