SCHEMBL22299561

SCHEMBL22299561

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.52
▸ PTPN1 P18031 1/20 0.43
▸ GSK3B P49841 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ ADRB3 P13945 1/20 0.42
▸ ADRA2A P08913 2/20 0.40
▸ ADRA1A P35348 2/20 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
▸ CYP2D6 P10635 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 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
SCHEMBL22299552 0.86 SRC (0.68) SRCPTPN1GSK3BMAPK1BCHE
SCHEMBL22299950 0.86 SRC (0.56) SRCPTPN1GSK3BBCHEACHE
SCHEMBL22299558 0.86 ADRA2A (0.47) SRCADRB2ADRB1ADRB3ADRA2A
SCHEMBL21423114 0.79 CA12 (0.47) ADRB2ADRB1ADRB3ADRA2AADRA1A
SCHEMBL12606793 0.75 CA12 (0.50) ADRB2ADRB1ADRB3ADRA2AADRA1A
SCHEMBL11437277 0.75 CA12 (0.50) ADRB2ADRB1ADRB3ADRA2AADRA1A
SCHEMBL10172021 0.75 CA12 (0.50) ADRB2ADRB1ADRB3ADRA2AADRA1A
SCHEMBL22210841 0.75 CA12 (0.43) ADRA2AADRA1ACA12CA1CA2
SCHEMBL24313204 0.74 CA12 (0.42) ADRA2AADRA1ACA12CA1CA2
SCHEMBL932359 0.73 ADRA1A (0.56) ADRA2AADRA1ACA12CA1CA2

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 SRC 2561/4885PTPN1 2769/4885GSK3B 2836/4885

“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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