SCHEMBL15937804

SCHEMBL15937804

C/C=C/c1ccc(OC)cc1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
KDM4E B2RXH2 7/20 0.48
MAPT P10636 4/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
CYP1A1 P04798 4/20 0.47
CYP1A2 P05177 4/20 0.47
CYP1B1 Q16678 4/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
CASP1 P29466 6/20 0.47
CASP7 P55210 5/20 0.47
MAPK1 P28482 4/20 0.47

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
SCHEMBL15937803 1.00 NQO1 (0.51) NQO1L3MBTL1PPARGNCOA2NCOA1
SCHEMBL7103558 0.85 CYP1A2 (0.63) L3MBTL1PPARGNCOA2NCOA1NPSR1
SCHEMBL7103588 0.82 L3MBTL1 (0.46) NQO1L3MBTL1PPARGNCOA2NCOA1
SCHEMBL7433184 0.82 ALDH1A1 (0.58) NQO1L3MBTL1PPARGNCOA2NCOA1
SCHEMBL1478806 0.81 THRB (0.51) NQO1L3MBTL1PPARGNCOA2NCOA1
SCHEMBL1478811 0.81 THRB (0.51) NQO1L3MBTL1PPARGNCOA2NCOA1
SCHEMBL9239060 0.79 CYP1A1 (0.69) CYP1A1CYP1A2CYP1B1CYP3A4NFE2L2
SCHEMBL9239065 0.79 CYP1A1 (0.69) CYP1A1CYP1A2CYP1B1CYP3A4NFE2L2
SCHEMBL15938593 0.78 ALDH1A1 (0.39) NQO1L3MBTL1PPARGNCOA2NCOA1
SCHEMBL15938592 0.78 ALDH1A1 (0.39) NQO1L3MBTL1PPARGNCOA2NCOA1

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-10071067-B2 Anise flavored medication THE PROCTER & GAMBLE COMPANY (US) 2018-09-11 US claimed
US-20180064661-A1 Anise Flavored Medication PROCTER & GAMBLE (US) 2018-03-08 US claimed
US-9839620-B2 Anise flavored medication THE PROCTER & GAMBLE COMPANY (US) 2017-12-12 US claimed
US-20160361277-A1 Anise Flavored Medication PROCTER & GAMBLE (US) 2016-12-15 US claimed
US-10588872-B2 Anise flavored medication THE PROCTER & GAMBLE COMPANY (US) 2020-03-17 US disclosed
US-20180344670-A1 Anise Flavored Medication PROCTER & GAMBLE (US) 2018-12-06 US disclosed
US-10071067-B2 Anise flavored medication THE PROCTER & GAMBLE COMPANY (US) 2018-09-11 US disclosed
US-20180064661-A1 Anise Flavored Medication PROCTER & GAMBLE (US) 2018-03-08 US disclosed
US-9839620-B2 Anise flavored medication THE PROCTER & GAMBLE COMPANY (US) 2017-12-12 US disclosed
US-20160361277-A1 Anise Flavored Medication PROCTER & GAMBLE (US) 2016-12-15 US disclosed
US-9457085-B2 Anise flavored medication THE PROCTER & GAMBLE COMPANY (US) 2016-10-04 US disclosed
EP-2956120-A1 ANISE FLAVORED MEDICATION The Procter & Gamble Company (US) 2015-12-23 EP disclosed
WO-2014127118-A1 ANISE FLAVORED MEDICATION THE PROCTER & GAMBLE COMPANY (US) 2014-08-21 WO disclosed
US-20140228391-A1 Anise Flavored Medication THE PROCTER & GAMBLE COMPANY (US) 2014-08-14 US 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-20180344670-A1 Anise Flavored Medication ADRB1, ADRA1B, ADRA2B NQO1 1554/4885L3MBTL1 2589/4885PPARG 789/4885
US-20160361277-A1 Anise Flavored Medication ADRB1, ADRA1B, ADRA2B NQO1 1554/4885L3MBTL1 2589/4885PPARG 789/4885
US-10071067-B2 Anise flavored medication ADRB1, ADRA1B, ADRA2B NQO1 1554/4885L3MBTL1 2589/4885PPARG 789/4885
US-20180064661-A1 Anise Flavored Medication ADRB1, ADRA1B, ADRA2B NQO1 1554/4885L3MBTL1 2589/4885PPARG 789/4885
US-10588872-B2 Anise flavored medication ADRB1, ADRA1B, ADRA2B NQO1 1554/4885L3MBTL1 2589/4885PPARG 789/4885
US-20140228391-A1 Anise Flavored Medication ADRB1, ADRA1B, ADRA2B NQO1 1554/4885L3MBTL1 2589/4885PPARG 789/4885

“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.