SCHEMBL3371875

SCHEMBL3371875

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
NR1H4 Q96RI1 2/20 0.57
EPHX2 P34913 1/20 0.57
KMT2A Q03164 3/20 0.53
NOTUM Q6P988 2/20 0.51
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 1/20 0.49
WDR5 P61964 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.46
ATM Q13315 2/20 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
SCHEMBL8732461 0.88 MAPT (0.57) MAPTNR1H4EPHX2KMT2ANOTUM
SCHEMBL5027170 0.86 MAPT (0.58) MAPTKMT2ANOTUMCA1CA2
SCHEMBL16761889 0.85 NOTUM (0.67) MAPTKMT2ANOTUMCA1CA2
SCHEMBL13599887 0.84 NR1H4 (0.55) NR1H4EPHX2KMT2ACA1CA2
SCHEMBL1542321 0.84 NR1H4 (0.66) NR1H4EPHX2CA1CA2CA12
SCHEMBL13440125 0.84 NOTUM (0.56) MAPTKMT2ANOTUMCA1CA2
SCHEMBL1690496 0.83 MAPK1 (0.55) NR1H4EPHX2KMT2ACA1CA2
SCHEMBL29588341 0.83 MAPK1 (0.55) NR1H4EPHX2KMT2ACA1CA2
SCHEMBL107399 0.83 NR1H4 (0.53) MAPTNR1H4EPHX2KMT2ACA1
SCHEMBL15077180 0.81 NOTUM (0.53) MAPTKMT2ANOTUMCA1CA2

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 620/4885NR1H4 1007/4885EPHX2 1144/4885

“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.