SCHEMBL16166320

SCHEMBL16166320

COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)C=Cc1ccncc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.80
TTR P02766 1/20 0.80
ALOX5 P09917 1/20 0.80
ABCB1 P08183 16/20 0.69
MAPT P10636 2/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
MAOB P27338 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL17585484 1.00 PDPK1 (0.80) PDPK1TTRALOX5ABCB1MAPT
Hydrochloric Acid SCHEMBL16166216 0.99 PDPK1 (0.79) PDPK1TTRALOX5ABCB1MAPT
SCHEMBL26539037 0.92 PDPK1 (0.93) PDPK1TTRALOX5ABCB1MAPT
SCHEMBL30630210 0.92 PDPK1 (0.93) PDPK1TTRALOX5ABCB1MAPT
Xanthohumol SCHEMBL30169731 0.89 PDPK1 (1.00) PDPK1TTRALOX5ABCB1MAPT
Xanthohumol SCHEMBL143683 0.89 PDPK1 (1.00) PDPK1TTRALOX5ABCB1MAPT
Xanthohumol SCHEMBL738122 0.89 PDPK1 (1.00) PDPK1TTRALOX5ABCB1MAPT
SCHEMBL16450254 0.88 PDPK1 (0.86) PDPK1TTRALOX5ABCB1MAPT
SCHEMBL31415696 0.87 PDPK1 (0.84) PDPK1TTRALOX5ABCB1MAPT
SCHEMBL16174029 0.87 ABCB1 (0.86) PDPK1TTRALOX5ABCB1MAPT

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 PDPK1 3213/4885TTR 4577/4885ALOX5 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.