SCHEMBL16865505

SCHEMBL16865505

COc1cc(/C=C/C(=O)c2ccc3c(c2C)C=CC(C)(C)O3)ccc1C

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ODC1 P11926 2/20 0.69
▸ HIF1AN Q9NWT6 15/20 0.67
▸ ACHE P22303 2/20 0.60
▸ BCHE P06276 1/20 0.56
▸ PTPN1 P18031 1/20 0.56
▸ BACE1 P56817 1/20 0.56

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
SCHEMBL19365837 0.93 HIF1AN (0.71) ODC1HIF1ANACHE
SCHEMBL16865502 0.91 ODC1 (0.84) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL16865506 0.86 HIF1AN (0.56) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL16694580 0.84 HIF1AN (0.72) ODC1HIF1ANACHE
SCHEMBL16694579 0.84 HIF1AN (0.72) ODC1HIF1ANACHE
SCHEMBL31376176 0.83 HIF1AN (0.87) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL16694388 0.83 HIF1AN (0.87) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL16694389 0.83 HIF1AN (0.87) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL29499925 0.82 ODC1 (1.00) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL16865503 0.81 ODC1 (0.55) ODC1HIF1ANACHEPTPN1

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 3423/4885HIF1AN 3/4885ACHE 4868/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P ODC1 3782/4885HIF1AN 4/4885ACHE 4870/4885

“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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