SCHEMBL787535

SCHEMBL787535

CC(C)COc1ccc(C(=O)CCc2ccccn2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
LMNA P02545 1/20 0.41
MAOB P27338 2/20 0.41
RAB9A P51151 4/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 1/20 0.40
NPC1 O15118 3/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
S1PR3 Q99500 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
SCHEMBL30777576 1.00 MAPT (0.56) MAPTKDM4ESLC16A3SLC16A1LMNA
SCHEMBL3704809 0.87 KDM4E (0.59) MAPTKDM4EMAOBRAB9ACYP1A2
SCHEMBL787766 0.87 MAPT (0.61) MAPTKDM4ELMNARAB9ACYP1A2
SCHEMBL30134679 0.87 MAPT (0.61) MAPTKDM4ELMNARAB9ACYP1A2
SCHEMBL793083 0.83 KDM4E (0.55) MAPTKDM4EMAOB
SCHEMBL3703417 0.81 KDM4E (0.53) MAPTKDM4ELMNARAB9ACYP1A2
SCHEMBL4568616 0.81 KDM4E (0.52) MAPTKDM4EMAOBCYP1A2ALDH1A1
SCHEMBL933781 0.79 KDM4E (0.51) MAPTKDM4ELMNARAB9ACYP1A2
SCHEMBL3698715 0.78 KDM4E (0.51) MAPTKDM4ERAB9AALDH1A1NPC1
SCHEMBL933437 0.78 KDM4E (0.42) MAPTKDM4ESLC16A3SLC16A1RAB9A

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742983-B1 Method for isolating fragrance and flavour compounds SYMRISE AG (DE) 2017-08-23 EP claimed
US-9173424-B2 Pyridine derivatives with umami flavour GIVAUDAN S.A. (CH) 2015-11-03 US claimed
US-9144248-B2 Cinnamamides as savory flavorings SYMRISE AG (DE) 2015-09-29 US claimed
US-20140295045-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN S.A. (CH) 2014-10-02 US claimed
EP-2742983-A1 Method for isolating fragrance and flavour compounds Symrise AG (DE) 2014-06-18 EP claimed
EP-2451781-B1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2013-09-18 EP claimed
EP-2529632-B1 Cinnamic acid amides as spicy flavour agents SYMRISE AG (DE) 2013-08-28 EP claimed
US-20120308703-A1 Cinnamamides as savory flavorings SYMRISE AG (DE) 2012-12-06 US claimed
EP-2529632-A1 Cinnamic acid amides as spicy flavour agents Symrise AG (DE) 2012-12-05 EP claimed
US-20120121783-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN SA (CH) 2012-05-17 US claimed
EP-2451781-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR Givaudan SA (CH) 2012-05-16 EP claimed
WO-2011004016-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2011-01-13 WO claimed
EP-3911172-B1 COMBINATION OF SATIETY COMPONENTS WITH ARGININE SYMRISE AG (DE) 2026-04-15 EP disclosed
US-20260014103-A1 COMBINATION REMEDY SYMRISE AG (DE) 2026-01-15 US disclosed
EP-3823455-B1 COMPOSITION FOR SUBSTITUTING SUGAR IN BAKED GOODS SYMRISE AG (DE) 2025-10-01 EP disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
WO-2012035032-A2 TASTE ENHANCEMENT GIVAUDAN SA (CH) 2012-03-22 WO disclosed
WO-2011039340-A2 FLAVOUR ENHANCEMENT GIVAUDAN SA (CH) 2011-04-07 WO disclosed
WO-2011004016-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2011-01-13 WO 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 (4 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 MAPT 4340/4885KDM4E 3699/4885SLC16A3 1241/4885
US-20120121783-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 MAPT 2520/4885KDM4E 414/4885SLC16A3 1785/4885
US-20140295045-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 MAPT 2572/4885KDM4E 505/4885SLC16A3 1335/4885
US-20260014103-A1 COMBINATION REMEDY TAS2R43, TAS2R41, TAS2R60 MAPT 3252/4885KDM4E 3646/4885SLC16A3 4003/4885

“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.