SCHEMBL16867645

SCHEMBL16867645

COc1ccc(/C=C/C(=O)c2ccc3c(c2O)CCC(C)(C)O3)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.56
▸ NFKB1 P19838 2/20 0.56
▸ NFKB2 Q00653 2/20 0.56
▸ RELA Q04206 2/20 0.56
▸ HIF1AN Q9NWT6 7/20 0.54
▸ ODC1 P11926 1/20 0.54
▸ HSP90AA1 P07900 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ FLT3 P36888 1/20 0.52

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
SCHEMBL16865561 0.92 NFKB1 (0.54) ABCG2NFKB1NFKB2RELAHIF1AN
SCHEMBL25254874 0.82 ABCG2 (0.55) ABCG2NFKB1NFKB2RELAMEN1
SCHEMBL16867661 0.78 ABCG2 (0.61) ABCG2MEN1ALDH1A1CYP3A4MAPT
SCHEMBL14249292 0.77 NFKB1 (0.78) ABCG2NFKB1NFKB2RELAMAPT
SCHEMBL31376176 0.77 HIF1AN (0.87) HIF1ANODC1ACHE
SCHEMBL16694389 0.77 HIF1AN (0.87) HIF1ANODC1ACHE
SCHEMBL16694388 0.77 HIF1AN (0.87) HIF1ANODC1ACHE
SCHEMBL14249291 0.77 NFKB1 (0.78) ABCG2NFKB1NFKB2RELAMAPT
SCHEMBL31398714 0.76 NFKB1 (0.83) ABCG2NFKB1NFKB2RELACYP3A4
SCHEMBL17583534 0.76 NFKB1 (0.70) ABCG2NFKB1NFKB2RELAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2015-07-02 — — 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-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HIF1AN ABCG2 670/4885NFKB1 402/4885NFKB2 364/4885

“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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