SCHEMBL16166347

SCHEMBL16166347

COCOc1cc(OCC=C(C)C)c(C(C)=O)c(OCOC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
MDM2 Q00987 1/20 0.45
ALOX5 P09917 4/20 0.40
PTGES O14684 4/20 0.40
PPARG P37231 1/20 0.39
MTNR1A P48039 2/20 0.39
TRPA1 O75762 1/20 0.39
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
PGR P06401 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 1/20 0.37
CNR1 P21554 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
AGTR1 P30556 1/20 0.37

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
SCHEMBL31415699 1.00 TP53 (0.45) TP53MDM2ALOX5PTGESPPARG
SCHEMBL4133119 0.88 CYP3A4 (0.43) MAPTKMT2ATSHRKDM4ECYP3A4
SCHEMBL12375248 0.83 CYP3A4 (0.51) LMNAMAPTKMT2ACYP3A4MAPK1
SCHEMBL16166395 0.81 TRPA1 (0.40) TP53MDM2ALOX5PTGESPPARG
SCHEMBL26481059 0.80 CYP3A4 (0.54) MAPTKMT2ATSHRKDM4EALDH1A1
SCHEMBL30792317 0.79 CYP3A4 (0.58) ALOX5PTGESHPGDMEN1MAPT
SCHEMBL656327 0.79 CYP3A4 (0.58) ALOX5PTGESHPGDMEN1MAPT
SCHEMBL28652556 0.78 CYP3A4 (0.41) TP53MDM2MAPTKMT2ATSHR
SCHEMBL23327124 0.77 CYP3A4 (0.60) TP53MDM2LMNAMAPTOPRK1
SCHEMBL30545309 0.77 CYP3A4 (0.60) TP53MDM2LMNAMAPTOPRK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984072-B1 SYNTHETIC ANALOGUES OF XANTHOHUMOL UNIV PISA (IT) 2024-05-29 EP disclosed
US-9617213-B2 Synthetic analogues of xanthohumol UNIVERSITA' DI PISA (IT) 2017-04-11 US disclosed
US-9617213-B2 Synthetic analogues of xanthohumol UNIVERSITA' DI PISA (IT) 2017-04-11 US disclosed
US-9617213-B2 Synthetic analogues of xanthohumol UNIVERSITA' DI PISA (IT) 2017-04-11 US disclosed
US-20160075652-A1 SYNTHETIC ANALOGUES OF XANTHOHUMOL AZIENDA OSPEDALIERA DI REGGIO EMILIA ARCISPEDALE S. MARIA NUOVA IRCCS (IT) 2016-03-17 US disclosed
US-20160075652-A1 SYNTHETIC ANALOGUES OF XANTHOHUMOL AZIENDA OSPEDALIERA DI REGGIO EMILIA ARCISPEDALE S. MARIA NUOVA IRCCS (IT) 2016-03-17 US disclosed
EP-2984072-A1 SYNTHETIC ANALOGUES OF XANTHOHUMOL Universita Di Pisa (IT) 2016-02-17 EP disclosed
WO-2014167481-A1 SYNTHETIC ANALOGUES OF XANTHOHUMOL UNIVERSITA' DI PISA (IT) 2014-10-16 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 (1 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-20160075652-A1 SYNTHETIC ANALOGUES OF XANTHOHUMOL XDH, XPA, NR1H3 TP53 4593/4885MDM2 4813/4885ALOX5 1060/4885

“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.