SCHEMBL22300241

SCHEMBL22300241

CC(C)=CCCC(C)c1c(C)cc(C)cc1O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.60
PTPN1 P18031 4/20 0.56
MSR1 P21757 1/20 0.44
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
BACE1 P56817 1/20 0.43
ALOX15 P16050 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOB P27338 3/20 0.35
APP P05067 3/20 0.35
TSHR P16473 1/20 0.33
SOAT2 O75908 1/20 0.33
SOAT1 P35610 1/20 0.33

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
SCHEMBL16749882 0.75 SRC (1.00) SRCPTPN1MSR1MGAMGAA
SCHEMBL29412614 0.75 SRC (1.00) SRCPTPN1MSR1MGAMGAA
SCHEMBL31545696 0.75 SRC (1.00) SRCPTPN1MSR1MGAMGAA
SCHEMBL29571282 0.75 SRC (1.00) SRCPTPN1MSR1MGAMGAA
SCHEMBL16749879 0.75 SRC (1.00) SRCPTPN1MSR1MGAMGAA
SCHEMBL14283768 0.73 SRC (0.66) SRCPTPN1MSR1MGAMGAA
Xanthorrizol SCHEMBL14115131 0.72 SRC (0.56) SRCPTPN1MSR1MGAMGAA
Xanthorrizol SCHEMBL13816855 0.72 SRC (0.56) SRCPTPN1MSR1MGAMGAA
Xanthorrizol SCHEMBL14879579 0.72 SRC (0.56) SRCPTPN1MSR1MGAMGAA
SCHEMBL29966905 0.72 SRC (0.78) SRCPTPN1MSR1MGAMGAA

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 2769/4885MSR1 1719/4885

“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.