SCHEMBL4134410

SCHEMBL4134410

CCOC(=O)C/C(F)=C\c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
GAA P10253 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
NR1I2 O75469 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL4134413 1.00 MEN1 (0.60) MEN1KMT2ASMN1; SMN2RAB9ANPC1
Malonic Acid Diethyl Ester SCHEMBL8368278 0.80 MEN1 (0.87) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL4661744 0.79 MEN1 (0.68) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL4661745 0.79 MEN1 (0.68) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL11309469 0.78 MEN1 (0.72) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL11309467 0.78 MEN1 (0.72) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL10697747 0.78 MEN1 (0.72) MEN1KMT2ASMN1; SMN2RAB9ANPC1
Malonic Acid Diethyl Ester SCHEMBL14880154 0.77 MEN1 (0.56) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL15664807 0.76 MEN1 (0.55) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL11552517 0.76 MEN1 (0.55) MEN1KMT2ASMN1; SMN2RAB9ANPC1

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 5 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
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
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 4362/4885SMN1; SMN2 4422/4885

“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.