SCHEMBL3373279

SCHEMBL3373279

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.50
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
HIF1A Q16665 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
RAD52 P43351 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 3/20 0.40
PTGER4 P35408 1/20 0.40
HSD17B2 P37059 1/20 0.40

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
SCHEMBL3489482 0.87 HDAC6 (0.36) HDAC6KDM4EPOLBCYP1A2KMT2A
SCHEMBL3488752 0.86 TSHR (0.46) KDM4EPOLBTSHRMAPT
SCHEMBL3488798 0.85 ALDH1A1 (0.39) KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL17311463 0.83 MAPT (0.47) KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL3065854 0.82 HDAC6 (0.54) HDAC6KDM4EPOLBTSHRCYP1A2
SCHEMBL3369968 0.81 HDAC6 (0.52) HDAC6KDM4EPOLBTSHRCYP1A2
SCHEMBL3075847 0.81 HDAC6 (0.52) HDAC6KDM4EPOLBTSHRCYP1A2
SCHEMBL3978102 0.78 MAPT (0.44) KDM4ECYP1A2KMT2AMAPTCYP2C19
SCHEMBL3372971 0.77 HDAC6 (0.49) HDAC6KDM4EPOLBTSHRCYP1A2
SCHEMBL15322138 0.77 HSD17B2 (0.54) KDM4EPOLBTSHRCYP1A2ESR1

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 10 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-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP 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 (2 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
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 HDAC6 405/4885KDM4E 1427/4885POLB 2569/4885

“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.