SCHEMBL4126095

SCHEMBL4126095

COC(=O)c1c(C)c(-c2ccc(N3CCOCC3)cc2)cc(C(C)(C)C)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RXFP1 Q9HBX9 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ACVR1 Q04771 3/20 0.47
TGFBR1 P36897 2/20 0.47
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP8 P40818 1/20 0.40
ALOX15 P16050 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4122641 0.78 MEN1 (0.47) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4134604 0.76 SLC6A3 (0.41) MAPTKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL4128033 0.75 SLC6A3 (0.51) MEN1KMT2AALDH1A1KDM4ECYP3A4
SCHEMBL4123104 0.72 AKR1C3 (0.38) ALDH1A1TSHRCFTR
SCHEMBL4127663 0.70 CNR2 (0.39) MAPTALDH1A1HSD17B10LMNA
SCHEMBL4123242 0.70 ALOX15 (0.48) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4114952 0.70 CYP3A4 (0.42) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4126942 0.69 ALPL (0.42) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL4120806 0.69 POLQ (0.42) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4128012 0.69 MAPT (0.44) MAPTMEN1KMT2ASMN1; SMN2NPC1

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.