SCHEMBL16865501

SCHEMBL16865501

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.57
▸ ODC1 P11926 2/20 0.52
▸ HIF1AN Q9NWT6 1/20 0.52
▸ ABCG2 Q9UNQ0 4/20 0.51
▸ XDH P47989 1/20 0.50
▸ COXFA4 O00483 1/20 0.48
▸ ABCB1 P08183 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ACHE P22303 1/20 0.46
▸ TNFRSF1A P19438 1/20 0.46
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL16865503 0.96 ODC1 (0.55) PTPN1ODC1HIF1ANABCG2XDH
SCHEMBL16694311 0.92 ABCG2 (0.62) PTPN1ODC1HIF1ANABCG2XDH
SCHEMBL16694310 0.92 ABCG2 (0.62) PTPN1ODC1HIF1ANABCG2XDH
SCHEMBL5599975 0.90 ODC1 (0.65) PTPN1ODC1HIF1ANABCG2XDH
SCHEMBL19365857 0.88 HIF1AN (0.65) PTPN1ODC1HIF1ANABCG2XDH
SCHEMBL16694688 0.88 ABCG2 (0.62) PTPN1ODC1HIF1ANABCG2ABCB1
SCHEMBL16694689 0.88 ABCG2 (0.62) PTPN1ODC1HIF1ANABCG2ABCB1
SCHEMBL14606067 0.86 ODC1 (0.68) PTPN1ODC1HIF1ANABCG2XDH
SCHEMBL5599381 0.83 PTGES (0.53) PTPN1ODC1HIF1ANABCG2ABCB1
SCHEMBL14606068 0.80 PTGES (0.56) PTPN1ODC1HIF1ANABCG2

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 PTPN1 633/4885ODC1 3423/4885HIF1AN 3/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P PTPN1 1137/4885ODC1 3782/4885HIF1AN 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.

Send feedback