SCHEMBL16174031

SCHEMBL16174031

COc1cc2c(c(O)c1C(=O)/C=C/c1ccc(Cl)c(C)c1)CCC(C)(C)O2

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 8/20 0.68
▸ NFKB2 Q00653 8/20 0.68
▸ RELA Q04206 8/20 0.68
▸ CXCL12 P48061 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PDE4D Q08499 1/20 0.42
▸ CYP19A1 P11511 2/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL16166082 0.93 NFKB1 (0.70) NFKB1NFKB2RELACXCL12MAPT
SCHEMBL17583534 0.93 NFKB1 (0.70) NFKB1NFKB2RELACXCL12MAPT
SCHEMBL16166213 0.87 NFKB1 (0.63) NFKB1NFKB2RELACXCL12MAPT
SCHEMBL16166215 0.87 NFKB1 (0.63) NFKB1NFKB2RELACXCL12MAPT
SCHEMBL14249291 0.87 NFKB1 (0.78) NFKB1NFKB2RELAMAPTPDE4D
SCHEMBL14249292 0.87 NFKB1 (0.78) NFKB1NFKB2RELAMAPTPDE4D
SCHEMBL31398714 0.86 NFKB1 (0.83) NFKB1NFKB2RELAMAPTCYP3A4
SCHEMBL16865561 0.77 NFKB1 (0.54) NFKB1NFKB2RELAABCG2
SCHEMBL16867645 0.74 ABCG2 (0.56) NFKB1NFKB2RELAMAPTCYP3A4
SCHEMBL31376173 0.71 HIF1AN (0.59) NFKB1NFKB2RELA

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 4 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 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
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 NFKB1 2593/4885NFKB2 3043/4885RELA 3702/4885

“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.

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