SCHEMBL17848275

SCHEMBL17848275

COc1cc(/C=C2/C(C)=C(CC(=O)Nc3ccc(Br)cc3)c3cc(F)ccc32)cc(OC)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA4 P22748 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ PPARG P37231 12/20 0.50
▸ RXRA P19793 4/20 0.48
▸ CYP1A2 P05177 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ EGFR P00533 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44

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
SCHEMBL17848278 1.00 CA12 (0.53) CA12CA1CA2CA4CA9
SCHEMBL17848221 0.94 CA12 (0.56) CA12CA1CA2CA4CA9
SCHEMBL17848264 0.94 CA12 (0.56) CA12CA1CA2CA4CA9
SCHEMBL17848206 0.93 CA12 (0.54) CA12CA1CA2CA4CA9
SCHEMBL17848266 0.93 CA12 (0.54) CA12CA1CA2CA4CA9
SCHEMBL17848282 0.91 CA12 (0.53) CA12CA1CA2CA4CA9
SCHEMBL17848283 0.91 CA12 (0.53) CA12CA1CA2CA4CA9
SCHEMBL17821315 0.91 PPARG (0.57) CA12CA1CA2CA4CA9
SCHEMBL17821316 0.91 PPARG (0.57) CA12CA1CA2CA4CA9
SCHEMBL17848323 0.90 PPARG (0.57) CA12CA1CA2CA4CA9

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
US-20170342021-A1 RAS-INHIBITING INDENYL ACETAMIDE COMPOUNDS, COMPOSITIONS, AND USES ADT PHARMACEUTICALS, LLC 2017-11-30 — — US claimed
EP-3233070-A1 RAS-INHIBITING INDENYL ACETAMIDE COMPOUNDS, COMPOSITIONS, AND USES ADT Pharmaceuticals, Inc. (US) 2017-10-25 — — EP claimed
WO-2016099452-A1 RAS-INHIBITING INDENYL ACETAMIDE COMPOUNDS, COMPOSITIONS, AND USES ADT PHARMACEUTICALS, INC. (US) 2016-06-23 — — WO claimed
US-20170342021-A1 RAS-INHIBITING INDENYL ACETAMIDE COMPOUNDS, COMPOSITIONS, AND USES ADT PHARMACEUTICALS, LLC 2017-11-30 — — US disclosed
US-20170342021-A1 RAS-INHIBITING INDENYL ACETAMIDE COMPOUNDS, COMPOSITIONS, AND USES ADT PHARMACEUTICALS, LLC 2017-11-30 — — US disclosed
US-20170342021-A1 RAS-INHIBITING INDENYL ACETAMIDE COMPOUNDS, COMPOSITIONS, AND USES ADT PHARMACEUTICALS, LLC 2017-11-30 — — US disclosed
EP-3233070-A1 RAS-INHIBITING INDENYL ACETAMIDE COMPOUNDS, COMPOSITIONS, AND USES ADT Pharmaceuticals, Inc. (US) 2017-10-25 — — EP disclosed
WO-2016099452-A1 RAS-INHIBITING INDENYL ACETAMIDE COMPOUNDS, COMPOSITIONS, AND USES ADT PHARMACEUTICALS, INC. (US) 2016-06-23 — — WO disclosed
WO-2016099452-A1 RAS-INHIBITING INDENYL ACETAMIDE COMPOUNDS, COMPOSITIONS, AND USES ADT PHARMACEUTICALS, INC. (US) 2016-06-23 — — WO 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 (1 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-20170342021-A1 RAS-INHIBITING INDENYL ACETAMIDE COMPOUNDS, COMPOSITIONS, AND USES KRAS, NRAS, HRAS CA12 3756/4885CA1 2386/4885CA2 1646/4885

“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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