SCHEMBL3912914

SCHEMBL3912914

CCOC(=O)C1CCCCN1CC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
MMEL1 Q495T6 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
FKBP1A P62942 8/20 0.55
KDM4E B2RXH2 6/20 0.54
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL20993944 0.96 MMEL1 (0.65) POLBMMEL1MEN1KMT2AALDH1A1
SCHEMBL19880370 0.87 SMN1; SMN2 (0.51) POLBMMEL1ALDH1A1SMN1; SMN2FKBP1A
SCHEMBL19880369 0.87 SMN1; SMN2 (0.51) POLBMMEL1ALDH1A1SMN1; SMN2FKBP1A
SCHEMBL18734805 0.87 SMN1; SMN2 (0.51) POLBMMEL1ALDH1A1SMN1; SMN2FKBP1A
SCHEMBL934366 0.86 MMEL1 (0.58) POLBMMEL1ALDH1A1FKBP1ATSHR
SCHEMBL2707345 0.86 MMEL1 (0.58) POLBMMEL1ALDH1A1FKBP1ATSHR
SCHEMBL1627052 0.84 MEN1 (0.77) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10881324 0.83 MMEL1 (0.60) POLBMMEL1FKBP1A
SCHEMBL14836855 0.83 MMEL1 (0.52) MMEL1ALDH1A1SMN1; SMN2FKBP1AMAPK1
SCHEMBL12999748 0.81 MMEL1 (0.63) POLBMMEL1MEN1KMT2AALDH1A1

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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 POLB 4511/4885MMEL1 2729/4885MEN1 1522/4885

“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.