SCHEMBL2396658

SCHEMBL2396658

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
PRKCZ Q05513 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAOA P21397 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 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
SCHEMBL4220123 0.91 KMT2A (0.47) KMT2AMEN1NPC1PRKCZLMNA
SCHEMBL1748271 0.81 NPC1 (0.55) KMT2AMEN1NPC1PRKCZLMNA
SCHEMBL4228096 0.76 NPC1 (0.44) KMT2AMEN1NPC1CYP1A2MAPT
SCHEMBL7441914 0.76 ALDH1A1 (0.61) KMT2AMEN1NPC1PRKCZLMNA
SCHEMBL4232005 0.75 NPC1 (0.43) KMT2AMEN1NPC1PRKCZMAPT
SCHEMBL28693105 0.74 BCAT2 (0.46) KMT2AMEN1PRKCZLMNAALDH1A1
SCHEMBL1748179 0.73 NPC1 (0.43) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL6031378 0.73 NPC1 (0.58) KMT2AMEN1NPC1LMNACYP1A2
SCHEMBL1748086 0.73 NPC1 (0.58) KMT2AMEN1NPC1LMNACYP1A2
SCHEMBL4235377 0.71 NPC1 (0.46) KMT2AMEN1NPC1PRKCZALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 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-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC KMT2A 627/4885MEN1 4348/4885NPC1 187/4885

“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.