SCHEMBL16865503

SCHEMBL16865503

COc1cc(/C=C/C(=O)c2ccc3c(c2)C=CC(C)(C)O3)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ODC1 P11926 2/20 0.55
▸ PTPN1 P18031 1/20 0.54
▸ HIF1AN Q9NWT6 4/20 0.52
▸ ABCG2 Q9UNQ0 3/20 0.51
▸ XDH P47989 1/20 0.50
▸ COXFA4 O00483 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ CXCL12 P48061 1/20 0.47
▸ ACHE P22303 1/20 0.46
▸ TNFRSF1A P19438 1/20 0.46

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
SCHEMBL16865501 0.96 PTPN1 (0.57) ODC1PTPN1HIF1ANABCG2XDH
SCHEMBL16694689 0.92 ABCG2 (0.62) ODC1PTPN1HIF1ANABCG2MEN1
SCHEMBL16694688 0.92 ABCG2 (0.62) ODC1PTPN1HIF1ANABCG2MEN1
SCHEMBL14606067 0.90 ODC1 (0.68) ODC1PTPN1HIF1ANABCG2XDH
SCHEMBL16694311 0.88 ABCG2 (0.62) ODC1PTPN1HIF1ANABCG2XDH
SCHEMBL16694310 0.88 ABCG2 (0.62) ODC1PTPN1HIF1ANABCG2XDH
SCHEMBL19365857 0.86 HIF1AN (0.65) ODC1PTPN1HIF1ANABCG2XDH
SCHEMBL5599975 0.86 ODC1 (0.65) ODC1PTPN1HIF1ANABCG2XDH
SCHEMBL14606068 0.83 PTGES (0.56) ODC1PTPN1HIF1ANABCG2
SCHEMBL16865505 0.81 ODC1 (0.69) ODC1PTPN1HIF1ANACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 — — US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 — — US disclosed
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 (2 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 ODC1 3423/4885PTPN1 633/4885HIF1AN 3/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P ODC1 3782/4885PTPN1 1137/4885HIF1AN 4/4885

“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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