SCHEMBL15938593

SCHEMBL15938593

C/C=C/c1c(C#N)cc(OC)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
HMGCR P04035 1/20 0.38
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NQO1 P15559 1/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL15938592 1.00 ALDH1A1 (0.39) ALDH1A1KDM4ECYP3A4LMNATP53
SCHEMBL15937803 0.78 NQO1 (0.51) ALDH1A1KDM4ECYP3A4LMNATP53
SCHEMBL15937804 0.78 NQO1 (0.51) ALDH1A1KDM4ECYP3A4LMNATP53
SCHEMBL19305540 0.74 L3MBTL1 (0.42) ALDH1A1KDM4ETP53CYP1A1CYP1B1
SCHEMBL13755092 0.73 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4PPARGNCOA2
SCHEMBL14966037 0.72 CYP3A4 (0.46) ALDH1A1KDM4ECYP3A4TSHRCYP1A1
SCHEMBL14966038 0.72 CYP3A4 (0.46) ALDH1A1KDM4ECYP3A4TSHRCYP1A1
SCHEMBL10603021 0.71 CYP1A1 (0.58) ALDH1A1KDM4ECYP3A4LMNATP53
SCHEMBL7868949 0.71 CYP1A1 (0.58) ALDH1A1KDM4ECYP3A4LMNATP53
SCHEMBL667904 0.71 ALDH1A1 (0.47) ALDH1A1KDM4ETP53PPARGNCOA2

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 ALDH1A1 34/4885KDM4E 971/4885CYP3A4 108/4885
US-20160361277-A1 Anise Flavored Medication ADRB1, ADRA1B, ADRA2B ALDH1A1 34/4885KDM4E 971/4885CYP3A4 108/4885
US-10071067-B2 Anise flavored medication ADRB1, ADRA1B, ADRA2B ALDH1A1 34/4885KDM4E 971/4885CYP3A4 108/4885
US-20180064661-A1 Anise Flavored Medication ADRB1, ADRA1B, ADRA2B ALDH1A1 34/4885KDM4E 971/4885CYP3A4 108/4885
US-10588872-B2 Anise flavored medication ADRB1, ADRA1B, ADRA2B ALDH1A1 34/4885KDM4E 971/4885CYP3A4 108/4885
US-20140228391-A1 Anise Flavored Medication ADRB1, ADRA1B, ADRA2B ALDH1A1 34/4885KDM4E 971/4885CYP3A4 108/4885

“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.