SCHEMBL13576752

SCHEMBL13576752

CC(=O)c1ccc(OCCO)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.58
CNR2 P34972 11/20 0.56
CNR1 P21554 8/20 0.56
CYP2C9 P11712 1/20 0.50
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
HPGDS O60760 1/20 0.45
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
PLK1 P53350 1/20 0.43
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL13209708 0.86 LMNA (0.51) CNR2CNR1CYP2C9LMNASMN1; SMN2
SCHEMBL7905505 0.83 CNR2 (0.54) CNR2CNR1CYP2C9LMNAKDM4E
SCHEMBL12603985 0.82 IDO1 (0.81) IDO1CNR2CNR1CYP2C9LMNA
SCHEMBL7401823 0.81 ALDH1A1 (0.57) CNR2CNR1CYP2C9SMN1; SMN2KDM4E
SCHEMBL7636687 0.80 LMNA (0.74) LMNASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL30147524 0.79 MAPT (0.65) CNR2CNR1CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL18428699 0.79 MAPT (0.65) CNR2CNR1CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL8634758 0.78 CNR2 (0.51) CNR2CNR1CYP2C9LMNASMN1; SMN2
SCHEMBL26032422 0.78 CNR2 (0.44) CNR2CNR1CYP2C9LMNASMN1; SMN2
SCHEMBL4518755 0.78 PLK1 (0.67) IDO1CNR2CYP2C9LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-12-24 US disclosed
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-12-24 US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 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 (3 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-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 IDO1 426/4885CNR2 4706/4885CNR1 4225/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 IDO1 426/4885CNR2 4706/4885CNR1 4225/4885
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 IDO1 426/4885CNR2 4706/4885CNR1 4225/4885

“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.