SCHEMBL4134212

SCHEMBL4134212

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CISD2 Q8N5K1 1/20 0.41
CFTR P13569 1/20 0.40
PTPN1 P18031 1/20 0.39
MAPT P10636 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
NOTUM Q6P988 2/20 0.37
SRD5A2 P31213 2/20 0.37
BCL2L1 Q07817 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 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
SCHEMBL4128093 0.88 TDP1 (0.43) ALDH1A1LMNAGAAMAPTNPC1
SCHEMBL4115886 0.82 SMN1; SMN2 (0.38) ALDH1A1LMNAGAANOTUMSMN1; SMN2
SCHEMBL4113737 0.82 TAS1R3 (0.39) ALDH1A1LMNAGAAMAPTSRD5A2
SCHEMBL4125922 0.81 PTPN1 (0.43) PTPN1NPC1RAB9A
SCHEMBL4117083 0.77 PTGS1 (0.39) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4123787 0.77 MAPT (0.41) ALDH1A1LMNAGAAMAPTNPC1
SCHEMBL4121830 0.76 GLRA3 (0.48) TRPV1SRD5A2BCL2L1CYP2C8NPC1
SCHEMBL4134426 0.75 ALDH1A1 (0.46) ALDH1A1LMNAGAAMAPTNPC1
SCHEMBL4123104 0.75 AKR1C3 (0.38) ALDH1A1CISD2CFTRPTPN1NOTUM
SCHEMBL4121697 0.75 MAPT (0.44) ALDH1A1PTPN1MAPTSRD5A2RAB9A

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 ALDH1A1 1413/4885LMNA 2299/4885GAA 831/4885

“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.