SCHEMBL2936618

SCHEMBL2936618

COC(=O)c1ccc(OC)c(OCCC2CCCO2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ROCK2 O75116 1/20 0.51
KMT2A Q03164 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL2934121 0.90 KDM4E (0.51) ALDH1A1KDM4EROCK2NPC1RAB9A
SCHEMBL24815310 0.77 MAPT (0.55) ALDH1A1KDM4EKMT2ARAB9AMAPT
SCHEMBL1012841 0.76 MAPT (0.60) KMT2AMAPTSMN1; SMN2
SCHEMBL8555091 0.75 NPC1 (0.53) ALDH1A1KDM4EROCK2NPC1RAB9A
SCHEMBL1930353 0.75 KDM4E (0.48) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL19504400 0.75 MEN1 (0.56) KDM4EKMT2ARAB9AMAPT
SCHEMBL15595695 0.75 MEN1 (0.54) ALDH1A1KDM4EKMT2ARAB9AMAPT
SCHEMBL18031268 0.75 MAPT (0.62) KMT2AMAPTSMN1; SMN2
SCHEMBL1013052 0.75 MAPT (0.62) KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL4278555 0.74 PDE4B (0.63) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD ALDH1A1 494/4885KDM4E 1562/4885ROCK2 2590/4885

“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.