SCHEMBL3372285

SCHEMBL3372285

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
SMPD1 P17405 5/20 0.57
KMT2A Q03164 1/20 0.51
TUBB1 Q9H4B7 1/20 0.51
PRSS1 P07477 3/20 0.50
CYP4A11 Q02928 2/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
MGLL Q99685 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL15595698 0.94 MAPT (0.60) MAPTSMPD1KMT2APRSS1CYP4A11
SCHEMBL18031268 0.92 MAPT (0.62) MAPTSMPD1KMT2ATUBB1TSHR
SCHEMBL18089529 0.88 MAPT (0.57) MAPTSMPD1KMT2APRSS1CYP4A11
SCHEMBL1011139 0.88 MAPT (0.60) MAPTSMPD1KMT2APRSS1TSHR
SCHEMBL31238673 0.88 SMPD1 (0.54) MAPTSMPD1PRSS1CYP4A11MGLL
SCHEMBL56262 0.88 MAPT (0.60) MAPTSMPD1KMT2APRSS1TSHR
SCHEMBL13461264 0.88 SMPD1 (0.67) MAPTSMPD1KMT2ATP53MGLL
SCHEMBL25293543 0.87 MAPT (0.59) MAPTSMPD1KMT2APRSS1TSHR
SCHEMBL14705177 0.87 MAPT (0.59) MAPTSMPD1KMT2APRSS1TSHR
SCHEMBL30506582 0.87 MAPT (0.59) MAPTSMPD1KMT2APRSS1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 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-20080194549-A1 Organic Compounds REN, ACE, OTC MAPT 620/4885SMPD1 1585/4885KMT2A 3912/4885

“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.