SCHEMBL4220123

SCHEMBL4220123

CCCC(CC(=O)c1ccccc1-c1ccc(N)cc1)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
HRAS P01112 1/20 0.42
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 3/20 0.39
PRKCZ Q05513 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
LTB4R2 Q9NPC1 2/20 0.35
SLC6A2 P23975 1/20 0.35
SCN1A P35498 3/20 0.35
SCN2A Q99250 3/20 0.35
SCN3A Q9NY46 3/20 0.35
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
BRS3 P32247 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL2396658 0.91 KMT2A (0.49) KMT2AHRASPRKCZMEN1NPC1
SCHEMBL1747972 0.81 KMT2A (0.52) KMT2ASLC6A3MEN1NPC1SCN1A
SCHEMBL5068457 0.81 KMT2A (0.52) KMT2ASLC6A3MEN1NPC1SCN1A
SCHEMBL28693105 0.74 BCAT2 (0.46) KMT2ASLC6A3SLC6A4PRKCZMEN1
SCHEMBL1854430 0.72 SLC6A3 (0.71) KMT2ASLC6A3SLC6A4PRKCZMEN1
SCHEMBL5068496 0.71 KMT2A (0.57) KMT2AMEN1NPC1RAB9A
SCHEMBL1748263 0.71 KMT2A (0.57) KMT2AMEN1NPC1RAB9A
SCHEMBL1748271 0.71 NPC1 (0.55) KMT2ASLC6A3PRKCZMEN1NPC1
SCHEMBL7441914 0.71 ALDH1A1 (0.61) KMT2ASLC6A3SLC6A4PRKCZMEN1
SCHEMBL1747964 0.68 KMT2A (0.49) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-27 US 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-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity FABP4, GPR119, LIPC KMT2A 627/4885HRAS 1073/4885SLC6A3 1440/4885

“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.