SCHEMBL16166282

SCHEMBL16166282

CCC(C(=O)O)N(C=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5 P09917 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6487212 0.87 LMNA (0.44) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL10686536 0.87 CYP1A2 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL8910551 0.86 PTGES (0.42) ALOX5
SCHEMBL27530431 0.86 CTSB (0.44) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL7420915 0.85 SLC1A1 (0.44) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL6955548 0.83 FOLH1 (0.46) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL7354777 0.82 MAOB (0.40) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL7417141 0.82 SLC7A5 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL7515528 0.82 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL10873777 0.81 SLC1A1 (0.45) SLC1A3SLC1A2SLC1A1KMT2AMEN1

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 5 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-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 SLC1A3 3906/4885SLC1A2 3842/4885SLC1A1 3988/4885

“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.