SCHEMBL21177003

SCHEMBL21177003

CC(C)(CO)c1cccc(CCC=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
PPARA Q07869 3/20 0.34
PPARG P37231 2/20 0.34
ALOX5 P09917 1/20 0.33
ACP3 P15309 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL1653009 0.83 HDAC4 (0.41) CYP1A2CYP2C19TAAR1HDAC8
SCHEMBL21176934 0.80 ESR1 (0.39) MEN1KMT2ACNR1CNR2PPARA
SCHEMBL30288253 0.79 TAAR1 (0.59) CYP1A2CYP2C19TAAR1
SCHEMBL1908555 0.78 KIF11 (0.44) CYP1A2CYP2C19TAAR1MEN1KMT2A
SCHEMBL66607 0.77 TAAR1 (0.61) KDM4ETAAR1MEN1KMT2AACP3
SCHEMBL670842 0.77 TAAR1 (0.49) KDM4ETAAR1MEN1KMT2ACNR1
SCHEMBL15045357 0.75 CNR1 (0.47) CYP1A2CYP2C19TAAR1CNR1CNR2
SCHEMBL19258592 0.75 MEN1 (0.43) TAAR1MEN1KMT2ACHRM2CHRM1
SCHEMBL21176938 0.75 CNR1 (0.41) CNR1CNR2
SCHEMBL15504962 0.75 MEN1 (0.40) CYP1A2CYP2C19TAAR1MEN1KMT2A

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
EP-3681987-B1 LILY OF THE VALLEY ODORANT FIRMENICH & CIE (CH) 2021-06-09 EP claimed
US-10980722-B2 Lily of the valley odorant FIRMENICH SA (CH) 2021-04-20 US claimed
US-20200337962-A1 LILY OF THE VALLEY ODORANT FIRMENICH SA (CH) 2020-10-29 US claimed
EP-3681987-A1 LILY OF THE VALLEY ODORANT Firmenich SA (CH) 2020-07-22 EP claimed
CN-111295438-A Lily of the valley odorant 弗门尼舍有限公司 2020-06-16 CN claimed
WO-2019141761-A1 LILY OF THE VALLEY ODORANT FIRMENICH SA (CH) 2019-07-25 WO claimed
EP-3681987-B1 LILY OF THE VALLEY ODORANT FIRMENICH & CIE (CH) 2021-06-09 EP disclosed
US-10980722-B2 Lily of the valley odorant FIRMENICH SA (CH) 2021-04-20 US disclosed
US-20200337962-A1 LILY OF THE VALLEY ODORANT FIRMENICH SA (CH) 2020-10-29 US disclosed
EP-3681987-A1 LILY OF THE VALLEY ODORANT Firmenich SA (CH) 2020-07-22 EP disclosed
CN-111295438-A Lily of the valley odorant 弗门尼舍有限公司 2020-06-16 CN disclosed
WO-2019141761-A1 LILY OF THE VALLEY ODORANT FIRMENICH SA (CH) 2019-07-25 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-10980722-B2 Lily of the valley odorant OXER1, OXGR1, OPRM1 CYP1A2 201/4885CYP2C19 1060/4885KDM4E 3027/4885
US-20200337962-A1 LILY OF THE VALLEY ODORANT OXER1, OXGR1, OPRM1 CYP1A2 201/4885CYP2C19 1060/4885KDM4E 3027/4885

“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.