SCHEMBL3372010

SCHEMBL3372010

CCOCCOc1cc(C(=O)OCC)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.61
MAPT P10636 6/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.51
TP53 P04637 2/20 0.50
MAPK1 P28482 1/20 0.50
THRB P10828 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMPD1 P17405 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 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
SCHEMBL13529213 0.90 HSD17B2 (0.52) HSD17B2MAPTLMNANPC1RAB9A
SCHEMBL13529208 0.90 HSD17B2 (0.52) HSD17B2MAPTLMNANPC1RAB9A
SCHEMBL31096065 0.89 HSD17B2 (0.64) HSD17B2MAPTTSHRLMNAMEN1
SCHEMBL16503710 0.86 HSD17B2 (0.58) HSD17B2MAPTTSHRLMNAMEN1
SCHEMBL3371069 0.86 TSHR (0.66) TSHRPOLBTP53MAPK1SMPD1
SCHEMBL30506315 0.85 HSD17B2 (0.76) HSD17B2MAPTTSHRLMNAMEN1
SCHEMBL1660365 0.85 HSD17B2 (0.76) HSD17B2MAPTTSHRLMNAMEN1
SCHEMBL5495236 0.84 HSD17B2 (0.62) HSD17B2MAPTTSHRLMNAMEN1
SCHEMBL29524292 0.84 HSD17B2 (0.62) HSD17B2MAPTTSHRLMNAMEN1
SCHEMBL7356773 0.84 MAPK1 (0.51) TSHRMEN1KMT2APOLBTP53

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 HSD17B2 793/4885MAPT 620/4885TSHR 2274/4885

“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.