SCHEMBL3369968

SCHEMBL3369968

COCCCOC(=O)c1ccc(Cl)c(OCCCOC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.52
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
ESR1 P03372 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
SCN1A P35498 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
HIF1A Q16665 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
RAD52 P43351 1/20 0.43
KMT2A Q03164 3/20 0.42

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
SCHEMBL3374286 0.85 FABP4 (0.48) KDM4EPOLBHPGDTSHR
SCHEMBL8993605 0.84 HSD17B2 (0.54) KDM4EPOLBESR1SMN1; SMN2HPGD
SCHEMBL3065854 0.84 HDAC6 (0.54) HDAC6KDM4EPOLBESR1CYP1A2
SCHEMBL3075847 0.83 HDAC6 (0.52) HDAC6KDM4EPOLBESR1SMN1; SMN2
SCHEMBL1346788 0.82 MAPT (0.50) KDM4EPOLBSMN1; SMN2HPGDCYP1A2
SCHEMBL14926451 0.81 THRA (0.57) HDAC6KDM4EESR1NPC1
SCHEMBL15694441 0.81 ESR1 (0.57) HDAC6KDM4EESR1SMN1; SMN2GAA
SCHEMBL3373279 0.81 HDAC6 (0.50) HDAC6KDM4EPOLBESR1SMN1; SMN2
SCHEMBL15927326 0.80 THRA (0.59) HDAC6KDM4EESR1NPC1
SCHEMBL14930508 0.80 THRA (0.56) HDAC6KDM4EESR1SMN1; SMN2CYP1A2

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 HDAC6 2224/4885KDM4E 1370/4885POLB 427/4885

“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.