SCHEMBL88959

SCHEMBL88959

CCc1cc(OC)cc(OCCCOC)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
AHR P35869 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 7/20 0.39
CNR2 P34972 7/20 0.39
PTGS2 P35354 2/20 0.38
CALM1 P0DP23 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 1/20 0.37

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
SCHEMBL88961 0.96 ALDH1A1 (0.48) ALDH1A1KDM4EAHRGAACYP1A2
SCHEMBL1911330 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EAHRGAAMAPK1
SCHEMBL88985 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EGAACYP1A2CYP2D6
SCHEMBL13490781 0.86 AHR (0.41) ALDH1A1KDM4EAHRMAPTHPGD
SCHEMBL90334 0.84 CNR1 (0.40) ALDH1A1AHRCYP1A2CYP2D6MAPK1
SCHEMBL3075017 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EAHRCYP1A2CYP2D6
SCHEMBL89284 0.84 ALDH1A1 (0.39) ALDH1A1AHRCYP1A2CYP2D6MAPK1
SCHEMBL8237574 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EAHRCYP1A2CYP2D6
SCHEMBL8264192 0.84 MAOB (0.41) ALDH1A1AHRCYP1A2CYP2D6MAPK1
SCHEMBL13490763 0.84 MAPT (0.46) ALDH1A1KDM4EGAACYP1A2CYP2D6

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
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 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-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds NOVARTIS AG (CH) 2010-06-24 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006094763-A1 3,4,5-SUBSTITUTED PIPERIDINE COMPOUNDS NOVARTIS AG (CH) 2006-09-14 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 (6 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE ALDH1A1 412/4885KDM4E 1290/4885AHR 1704/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ALDH1A1 38/4885KDM4E 1650/4885AHR 3178/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC ALDH1A1 21/4885KDM4E 1140/4885AHR 3514/4885
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 ALDH1A1 127/4885KDM4E 3004/4885AHR 2412/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO ALDH1A1 36/4885KDM4E 2265/4885AHR 3785/4885
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds REN, ACE, PIGO ALDH1A1 56/4885KDM4E 1011/4885AHR 3660/4885

“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.