SCHEMBL4134417

SCHEMBL4134417

CCC(C(=O)O)C(F)=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
AKR1C3 P42330 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
RECQL P46063 1/20 0.42
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.39
AKR1C1 Q04828 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10686604 0.79 AKR1C3 (0.48) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL10686607 0.79 AKR1C3 (0.48) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL9253991 0.76 MEN1 (0.40) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL9253992 0.76 MEN1 (0.40) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL11313672 0.75 AKR1C3 (0.44) MEN1KMT2AAKR1C3RECQLGRIK1
SCHEMBL11313674 0.75 AKR1C3 (0.44) MEN1KMT2AAKR1C3RECQLGRIK1
SCHEMBL9967695 0.72 ALDH1A1 (0.43) MEN1KMT2AAKR1C3RECQLALDH1A1
SCHEMBL12098235 0.71 TDP1 (0.53) KMT2ACYP2C9RECQLMAPTALDH1A1
SCHEMBL10619274 0.70 GRIK1 (0.62) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL10619272 0.70 GRIK1 (0.62) MEN1KMT2AAKR1C3CYP3A4CYP2C9

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-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
EP-2001897-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS Syndexa Pharmaceuticals Corporation (US) 2008-12-17 EP disclosed
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 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-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 MEN1 4769/4885KMT2A 4362/4885AKR1C3 1257/4885

“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.