SCHEMBL4948839

SCHEMBL4948839

COc1ccc(CCC(=O)c2ccc(O)cc2O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP3A4 P08684 2/20 0.55
ATM Q13315 2/20 0.55
SLC5A1 P13866 2/20 0.47
SLC5A2 P31639 2/20 0.47
HTT P42858 2/20 0.47
ESR1 P03372 2/20 0.47
SHBG P04278 1/20 0.47
ESR2 Q92731 1/20 0.47
HSP90AB1 P08238 1/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NFKB1 P19838 2/20 0.45

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
SCHEMBL1734687 0.93 NPC1 (0.52) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL1733618 0.87 NPC1 (0.47) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL1734591 0.86 NPC1 (0.46) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL1734187 0.85 CYP19A1 (0.57) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL4656453 0.81 MEN1 (0.76) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL31511903 0.81 MEN1 (0.76) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL1840837 0.78 MEN1 (0.67) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL31511909 0.78 MEN1 (0.67) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL2292369 0.78 CYP19A1 (0.71) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL30129997 0.78 CYP19A1 (0.71) MEN1KMT2AALDH1A1HPGDNPC1

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-8715761-B2 Flavor molecules GIVAUDAN S.A. (CH) 2014-05-06 US disclosed
US-8715761-B2 Flavor molecules GIVAUDAN S.A. (CH) 2014-05-06 US disclosed
US-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-10-24 US disclosed
US-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-10-24 US disclosed
US-8449936-B2 Flavor molecules GIVAUDAN SA (CH) 2013-05-28 US disclosed
US-8449936-B2 Flavor molecules GIVAUDAN SA (CH) 2013-05-28 US disclosed
WO-2012054528-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed
US-20100272656-A1 Flavor Molecules GIVAUDAN SA (CH) 2010-10-28 US disclosed
US-20100272656-A1 Flavor Molecules GIVAUDAN SA (CH) 2010-10-28 US disclosed
US-20100040753-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2010-02-18 US disclosed
US-20100040753-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2010-02-18 US disclosed
WO-2009105906-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2009-09-03 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 (3 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-20100272656-A1 Flavor Molecules TAS2R30, TAS2R31, TAS2R1 MEN1 952/4885KMT2A 1632/4885ALDH1A1 683/4885
US-20100040753-A1 FLAVOR MOLECULES TAS2R30, TAS2R31, TAS2R1 MEN1 952/4885KMT2A 1632/4885ALDH1A1 683/4885
US-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 MEN1 3628/4885KMT2A 3838/4885ALDH1A1 796/4885

“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.