SCHEMBL3709538

SCHEMBL3709538

Cc1ccc(CCC(=O)c2ccccc2O)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
FFAR1 O14842 1/20 0.43
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
DAO P14920 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 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
SCHEMBL1733676 0.79 CYP19A1 (0.55) CYP19A1SMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL933781 0.75 KDM4E (0.51) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL3703151 0.75 RAB9A (0.49) NPC1RAB9ASMN1; SMN2LMNAHSD17B10
SCHEMBL25007407 0.75 FFAR1 (0.55) FFAR1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL1851646 0.73 ADRA2A (0.41) FFAR1NPC1RAB9ASMN1; SMN2DAO
SCHEMBL3220494 0.73 CYP19A1 (0.49) CYP19A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL7194163 0.72 CYP19A1 (0.51) CYP19A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31211720 0.72 CYP19A1 (0.66) CYP19A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL933704 0.72 MPO (0.41) NPC1RAB9ASMN1; SMN2DAOKMT2A
SCHEMBL3701792 0.71 CYP19A1 (0.50) CYP19A1NPC1RAB9ALMNAHSD17B10

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 12 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-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
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
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
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 CYP19A1 2965/4885FFAR1 452/4885NPC1 4083/4885
US-20140295045-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 CYP19A1 3485/4885FFAR1 449/4885NPC1 4022/4885

“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.