SCHEMBL3370555

SCHEMBL3370555

COCCCOc1cc(C(=O)O)cc2c1OCCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.53
MTNR1A P48039 4/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
CTNNB1 P35222 1/20 0.40
HPGD P15428 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.39
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 2/20 0.36
RET P07949 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL15996999 0.88 PLK1 (0.48) PLK1MTNR1AKDM4EALDH1A1POLB
SCHEMBL3375913 0.85 PLK1 (0.49) PLK1MTNR1AKDM4EALDH1A1POLB
SCHEMBL89688 0.83 REN (0.46) PLK1ALDH1A1RAB9ANPC1CTNNB1
SCHEMBL30330021 0.82 PLK1 (0.71) PLK1KDM4EALDH1A1POLBTDP1
SCHEMBL6995732 0.82 PLK1 (0.71) PLK1KDM4EALDH1A1POLBTDP1
SCHEMBL16002850 0.78 PLK1 (0.52) PLK1MTNR1AKDM4EALDH1A1POLB
SCHEMBL6944825 0.72 ALDH1A1 (0.35) PLK1MTNR1AKDM4EALDH1A1POLB
SCHEMBL11364388 0.71 PLK1 (0.50) PLK1MTNR1AKDM4EALDH1A1POLB
SCHEMBL3350012 0.70 PLK1 (0.44) PLK1KDM4EALDH1A1POLBTDP1
SCHEMBL20171129 0.70 HPGD (0.54) PLK1KDM4EALDH1A1POLBL3MBTL1

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 14 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 claimed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US claimed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US claimed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP claimed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO claimed
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
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-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US 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
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US 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 PLK1 2275/4885MTNR1A 2326/4885KDM4E 1370/4885

“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.