SCHEMBL4568616

SCHEMBL4568616

O=C(CCc1ccccn1)c1ccc(OCC2CC2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.52
PARP10 Q53GL7 4/20 0.40
PARP15 Q460N3 3/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 1/20 0.39
F10 P00742 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOB P27338 1/20 0.38
PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL3704809 0.84 KDM4E (0.59) KDM4EMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL30134679 0.83 MAPT (0.61) KDM4EMAPTPOLBALDH1A1GAA
SCHEMBL787766 0.83 MAPT (0.61) KDM4EMAPTPOLBALDH1A1GAA
SCHEMBL3698715 0.83 KDM4E (0.51) KDM4EMAPTPOLBALDH1A1GAA
SCHEMBL787535 0.81 MAPT (0.56) KDM4EMAPTALDH1A1PPARGSMN1; SMN2
SCHEMBL30777576 0.81 MAPT (0.56) KDM4EMAPTALDH1A1PPARGSMN1; SMN2
SCHEMBL3703417 0.81 KDM4E (0.53) KDM4EMAPTALDH1A1GAASMN1; SMN2
SCHEMBL793083 0.80 KDM4E (0.55) KDM4EMAPTMAOB
SCHEMBL933781 0.76 KDM4E (0.51) KDM4EMAPTALDH1A1GAASMN1; SMN2
SCHEMBL1733676 0.75 CYP19A1 (0.55) KDM4EMAPTALDH1A1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173424-B2 Pyridine derivatives with umami flavour GIVAUDAN S.A. (CH) 2015-11-03 US disclosed
US-9173424-B2 Pyridine derivatives with umami flavour GIVAUDAN S.A. (CH) 2015-11-03 US disclosed
US-20140295045-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN S.A. (CH) 2014-10-02 US disclosed
US-20140295045-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN S.A. (CH) 2014-10-02 US disclosed
EP-2451781-B1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2013-09-18 EP disclosed
US-20120121783-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN SA (CH) 2012-05-17 US disclosed
US-20120121783-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN SA (CH) 2012-05-17 US disclosed
WO-2011004016-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2011-01-13 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-20120121783-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 KDM4E 414/4885MAPT 2520/4885PARP10 2939/4885
US-20140295045-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 KDM4E 505/4885MAPT 2572/4885PARP10 2808/4885

“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.