SCHEMBL4570710

SCHEMBL4570710

CCc1c(O)cc(C(C)(C)CCCC(C)(C)C)cc1COC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.36
CNR2 P34972 14/20 0.36
ALDH1A1 P00352 2/20 0.33
PRKCE Q02156 2/20 0.33
MYLK Q15746 2/20 0.33
MEN1 O00255 1/20 0.33
PRKCG P05129 1/20 0.33
MAPT P10636 1/20 0.33
PRKCA P17252 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL31545653 0.84 CNR1 (0.44) CNR1CNR2
SCHEMBL13825870 0.81 CNR2 (0.44) CNR1CNR2
SCHEMBL4567338 0.80 CNR2 (0.44) CNR1CNR2ESR1ESR2
SCHEMBL4567339 0.71 CNR1 (0.46) CNR1CNR2
SCHEMBL23371902 0.68 IDH1 (0.49) ALDH1A1PRKCEMYLKMEN1PRKCG
SCHEMBL28125325 0.64 SHBG (0.67) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL16865576 0.62 ALOX15 (0.49) ALDH1A1PRKCEMYLKMEN1PRKCG
SCHEMBL14665356 0.62 CYP2C19 (0.49) ALDH1A1PRKCEMYLKMEN1PRKCG
SCHEMBL17356549 0.62 PRKCE (0.42) ALDH1A1PRKCEMYLKMEN1PRKCG
SCHEMBL25446784 0.62 SHBG (0.40) ALDH1A1PRKCEMYLKMEN1PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122917-A1 Method For Treatment Of HIV And Diseases Of Immune Dysregulation TRAVIS CRAIG RICK (US) 2012-05-17 US 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-20120122917-A1 Method For Treatment Of HIV And Diseases Of Immune Dysregulation CNR2, CNR1, ICOS CNR1 2/4885CNR2 1/4885ALDH1A1 3303/4885

“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.