SCHEMBL3629958

SCHEMBL3629958

COC(=O)c1cc(OCc2ccccc2)cc(-c2c(C)cccc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOB P27338 1/20 0.50
FFAR1 O14842 13/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NR4A2 P43354 1/20 0.49
SMPD1 P17405 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
GNA15 P30679 1/20 0.47

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
SCHEMBL731203 0.86 LMNA (0.62) LMNAHPGDMEN1KMT2AMAOB
SCHEMBL391547 0.84 MEN1 (0.71) LMNAHPGDMEN1KMT2AMAOB
SCHEMBL183994 0.84 LMNA (0.70) LMNAHPGDMEN1KMT2AMAOB
SCHEMBL7362723 0.82 HPGD (0.63) LMNAHPGDMEN1KMT2AMAOB
SCHEMBL2260868 0.81 MRGPRX4 (0.60) LMNAHPGDMEN1KMT2AMAOB
SCHEMBL5221387 0.81 LMNA (0.62) LMNAHPGDMEN1KMT2AMAOB
SCHEMBL7420476 0.81 LMNA (0.62) LMNAHPGDMEN1KMT2AMAOB
SCHEMBL29788280 0.80 LMNA (0.65) LMNAHPGDMEN1KMT2AMAOB
SCHEMBL3129603 0.80 MEN1 (0.74) LMNAHPGDMEN1KMT2AMAOB
SCHEMBL29475634 0.80 LMNA (0.69) LMNAHPGDMEN1KMT2AMAOB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 EP 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 LMNA 4270/4885HPGD 2123/4885MEN1 3372/4885

“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.