SCHEMBL4121697

SCHEMBL4121697

COC(=O)c1c(C)c(C(=O)c2ccc(Cl)cc2Cl)cc(C(C)(C)C)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
NR1H4 Q96RI1 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 1/20 0.40
ABL1 P00519 1/20 0.39
FLT1 P17948 3/20 0.38
FLT4 P35916 3/20 0.38
KDR P35968 3/20 0.38
MEN1 O00255 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
PTPN1 P18031 1/20 0.36
SRD5A2 P31213 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL4113737 0.82 TAS1R3 (0.39) MAPTRAB9AALDH1A1SRD5A2SMN1; SMN2
SCHEMBL4126942 0.81 ALPL (0.42) MAPTRAB9ANR1H4CYP1A2CYP2C19
SCHEMBL4123787 0.79 MAPT (0.41) MAPTRAB9AKMT2AALDH1A1MEN1
SCHEMBL4128093 0.79 TDP1 (0.43) MAPTRAB9AKMT2AALDH1A1MEN1
SCHEMBL4115886 0.77 SMN1; SMN2 (0.38) NR1H4CYP1A2CYP2C19ALDH1A1ABL1
SCHEMBL4116417 0.76 GLRA3 (0.48) MAPTRAB9ANR1H4CYP1A2CYP2C19
SCHEMBL4135380 0.75 NPC1 (0.49) MAPTRAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL4135377 0.75 NPC1 (0.49) MAPTRAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL4134212 0.75 ALDH1A1 (0.41) MAPTRAB9AALDH1A1PTPN1SRD5A2
SCHEMBL4121201 0.74 MAPT (0.43) MAPTRAB9AKMT2AALDH1A1MEN1

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 3830/4885RAB9A 3343/4885NR1H4 121/4885

“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.