SCHEMBL16166208

SCHEMBL16166208

COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O)c1CC=C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 16/20 1.00
PDPK1 O15530 1/20 0.71
TTR P02766 1/20 0.71
ALOX5 P09917 1/20 0.71
MAPT P10636 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68

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
SCHEMBL16166211 1.00 ABCB1 (1.00) ABCB1PDPK1TTRALOX5MAPT
SCHEMBL144848 0.91 ABCB1 (0.85) ABCB1PDPK1TTRALOX5MAPT
SCHEMBL17585476 0.90 ABCB1 (0.84) ABCB1PDPK1TTRALOX5MAPT
SCHEMBL5519605 0.90 ABCB1 (1.00) ABCB1PDPK1TTRALOX5
SCHEMBL5519601 0.90 ABCB1 (1.00) ABCB1PDPK1TTRALOX5
SCHEMBL17583538 0.90 ABCB1 (0.81) ABCB1PDPK1TTRALOX5MAPT
SCHEMBL17583539 0.90 ABCB1 (0.81) ABCB1PDPK1TTRALOX5MAPT
SCHEMBL30630210 0.86 PDPK1 (0.93) ABCB1PDPK1TTRALOX5MAPT
SCHEMBL26539037 0.86 PDPK1 (0.93) ABCB1PDPK1TTRALOX5MAPT
Xanthohumol SCHEMBL30169731 0.83 PDPK1 (1.00) ABCB1PDPK1TTRALOX5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617213-B2 Synthetic analogues of xanthohumol UNIVERSITA' DI PISA (IT) 2017-04-11 US claimed
US-20160075652-A1 SYNTHETIC ANALOGUES OF XANTHOHUMOL AZIENDA OSPEDALIERA DI REGGIO EMILIA ARCISPEDALE S. MARIA NUOVA IRCCS (IT) 2016-03-17 US claimed
EP-2984072-A1 SYNTHETIC ANALOGUES OF XANTHOHUMOL Universita Di Pisa (IT) 2016-02-17 EP claimed
WO-2014167481-A1 SYNTHETIC ANALOGUES OF XANTHOHUMOL UNIVERSITA' DI PISA (IT) 2014-10-16 WO claimed
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

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 ABCB1 4197/4885PDPK1 3213/4885TTR 4577/4885

“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.