SCHEMBL4517538

SCHEMBL4517538

CCCCOc1cc(C(=O)OC)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
ALPL P05186 1/20 0.50
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HCAR2 Q8TDS4 3/20 0.41
HCAR3 P49019 2/20 0.41
PTPN2 P17706 2/20 0.39
PTPN1 P18031 2/20 0.39
CDC25B P30305 2/20 0.39
LMNA P02545 1/20 0.38
STK25 O00506 1/20 0.38
CASP1 P29466 1/20 0.38
PLA2G2A P14555 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL17224867 0.86 MAPK1 (0.57) MAPK1ALPLNPC1RAB9APOLB
SCHEMBL17224847 0.78 MAPK1 (0.51) MAPK1ALPLNPC1RAB9APOLB
SCHEMBL3217260 0.76 ALPL (0.64) MAPK1ALPLNPC1RAB9APOLB
SCHEMBL8780393 0.73 ALPL (0.51) ALPLNPC1HCAR2LMNAPLA2G2A
SCHEMBL26115950 0.73 HCAR2 (0.68) MAPK1NPC1RAB9APOLBMEN1
SCHEMBL16619843 0.73 KMT2A (0.51) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL28835655 0.72 HCAR2 (0.66) MAPK1NPC1RAB9APOLBMEN1
SCHEMBL16445300 0.72 HCAR2 (0.60) HCAR2HCAR3
SCHEMBL4276017 0.72 CYP2C9 (0.41) ALPLNPC1RAB9APOLBMEN1
SCHEMBL31372458 0.72 CYP2C9 (0.45) ALPLNPC1RAB9APOLBMEN1

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-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS MAPK1 1689/4885ALPL 4199/4885NPC1 57/4885

“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.