SCHEMBL16867638

SCHEMBL16867638

COc1cc2c(cc1OC)[C@H](C(=O)c1ccc3c(c1)C=CC(C)(C)O3)CCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 1/20 0.52
▸ CYP3A4 P08684 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HSP90AA1 P07900 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HIF1A Q16665 9/20 0.42
▸ EPAS1 Q99814 7/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ ODC1 P11926 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL16694297 1.00 COXFA4 (0.52) COXFA4CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL16865490 0.93 COXFA4 (0.49) COXFA4CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL16865546 0.93 COXFA4 (0.49) COXFA4CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL11939511 0.82 HIF1A (0.56) CYP3A4MAPTSMN1; SMN2HSP90AA1TP53
SCHEMBL22383956 0.82 COXFA4 (0.50) COXFA4CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL19286846 0.78 HIF1A (0.52) COXFA4CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL16694514 0.77 CYP3A4 (0.43) COXFA4CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL16694172 0.75 COXFA4 (0.59) COXFA4CYP3A4HSP90AA1CYP1A2TSHR
SCHEMBL16694253 0.74 COXFA4 (0.49) COXFA4CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL14134371 0.72 HIF1A (0.54) HSP90AA1HIF1A

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 COXFA4 3510/4885CYP3A4 4301/4885MAPT 1940/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P COXFA4 3670/4885CYP3A4 4358/4885MAPT 1864/4885

“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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