SCHEMBL89159

SCHEMBL89159

CCc1cc(OCCCOC)cc(C(=O)OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 3/20 0.46
PLA2G2A P14555 1/20 0.42
RAB9A P51151 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SMPD1 P17405 3/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
XDH P47989 1/20 0.39
GFER P55789 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL2176462 0.90 MAPT (0.45) KDM4EALDH1A1GAAMAPTPLA2G2A
SCHEMBL3490269 0.89 MAPT (0.53) KDM4EALDH1A1GAAMAPTPLA2G2A
SCHEMBL89250 0.89 MAPT (0.53) KDM4EALDH1A1GAAMAPTPLA2G2A
SCHEMBL2175836 0.88 MAPT (0.44) KDM4EALDH1A1GAAMAPTPLA2G2A
SCHEMBL13461247 0.86 PLA2G2A (0.54) KDM4EALDH1A1MAPTPLA2G2ARAB9A
SCHEMBL14341680 0.84 CA12 (0.42) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL89596 0.84 RAB9A (0.50) KDM4EALDH1A1GAAMAPTPLA2G2A
SCHEMBL89430 0.83 PLA2G2A (0.54) KDM4EALDH1A1GAAMAPTPLA2G2A
SCHEMBL3488831 0.83 CA12 (0.58) KDM4EALDH1A1GAAMAPTPLA2G2A
SCHEMBL3129803 0.82 MAPT (0.50) KDM4EALDH1A1GAAMAPTRAB9A

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
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 KDM4E 1650/4885ALDH1A1 38/4885GAA 309/4885

“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.