SCHEMBL22299558

SCHEMBL22299558

COc1ccc(C(O)CCC=C(C)C)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.47
▸ ADRA1A P35348 2/20 0.47
▸ ADRB2 P07550 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ ADRB3 P13945 1/20 0.45
▸ CYP19A1 P11511 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL22299561 0.86 SRC (0.52) ADRA2AADRA1AADRB2ADRB1ADRB3
SCHEMBL13493018 0.80 ADRA2A (0.53) ADRA2AADRA1AADRB2ADRB1ADRB3
SCHEMBL9417826 0.80 ADRA2A (0.53) ADRA2AADRA1AADRB2ADRB1ADRB3
SCHEMBL22626303 0.79 ADRA2A (0.51) ADRA2AADRA1AADRB2ADRB1ADRB3
SCHEMBL9082001 0.79 ADRA2A (0.51) ADRA2AADRA1AADRB2ADRB1ADRB3
SCHEMBL29684720 0.78 ADRA1A (0.57) ADRA2AADRA1AADRB2ADRB1ADRB3
SCHEMBL2975604 0.78 ADRA1A (0.57) ADRA2AADRA1AADRB2ADRB1ADRB3
SCHEMBL9173075 0.77 ADRA2A (0.56) ADRA2AADRA1AADRB2ADRB1ADRB3
SCHEMBL7153263 0.77 ADRA1A (0.75) ADRA2AADRA1AADRB2ADRB1ADRB3
SCHEMBL8537740 0.75 ADRA2A (0.48) ADRA2AADRA1AADRB2ADRB1ADRB3

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-20220105051-A1 COMPOUNDS FOR INCREASING MHC-I EXPRESSION AND MODULATING HISTONE DEACETYLASE ACTIVITY Cava Healthcare Inc. (CA) 2022-04-07 — — US disclosed
WO-2020154811-A9 COMPOUNDS FOR INCREASING MHC-I EXPRESSION AND MODULATING HISTONE DEACETYLASE ACTIVITY Cava Healthcare Inc. (CA) 2020-09-17 — — WO disclosed
WO-2020154811-A1 COMPOUNDS FOR INCREASING MHC-I EXPRESSION AND MODULATING HISTONE DEACETYLASE ACTIVITY Cava Healthcare Inc. (CA) 2020-08-06 — — 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-20220105051-A1 COMPOUNDS FOR INCREASING MHC-I EXPRESSION AND MODULATING HISTONE DEACETYLASE ACTIVITY HDAC1, TAP1, HDAC11 ADRA2A 2419/4885ADRA1A 1085/4885ADRB2 2555/4885

“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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