SCHEMBL16694472

SCHEMBL16694472

COc1c(Br)ccc2c1C=CC(C)(C)O2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.53
▸ HIF1A Q16665 14/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA13 Q8N1Q1 1/20 0.49

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
SCHEMBL16694830 0.82 HIF1A (0.52) HSP90AA1HIF1AKDM4ECA12CA1
SCHEMBL16865538 0.78 NPC1 (0.40) HSP90AA1HIF1A
SCHEMBL16694463 0.77 PTPN1 (0.65) HSP90AA1HIF1AKDM4ECA12CA1
SCHEMBL31591499 0.77 PTPN1 (0.65) HSP90AA1HIF1AKDM4ECA12CA1
SCHEMBL30860405 0.76 HIF1A (0.70) HSP90AA1HIF1A
SCHEMBL21765950 0.76 HIF1A (0.67) HSP90AA1HIF1A
SCHEMBL21752804 0.76 HIF1A (0.70) HSP90AA1HIF1A
SCHEMBL16865555 0.75 HIF1A (0.51) HSP90AA1HIF1A
SCHEMBL21758149 0.75 HIF1A (0.65) HSP90AA1HIF1A
SCHEMBL16694678 0.75 HIF1A (0.49) HSP90AA1HIF1AKDM4ECA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2871187-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2017-09-20 — — EP disclosed
EP-2871187-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2017-09-20 — — EP disclosed
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-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-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
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
EP-2871187-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB Foundation (KR) 2015-05-13 — — EP 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 HSP90AA1 2/4885HIF1A 5/4885KDM4E 2649/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HIF1A 6/4885KDM4E 2949/4885

“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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