SCHEMBL15869801

SCHEMBL15869801

N#CCc1ccc(OCCCCCCCCCCCO)c(CO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.33
XDH P47989 1/20 0.33
PDK2 Q15119 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPT P10636 1/20 0.33
ENPP2 Q13822 1/20 0.33
S1PR1 P21453 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
LOX P28300 1/20 0.31
AOC3 Q16853 1/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL12727614 0.83 AR (0.35) PTGDR2MAPTENPP2MMP3
SCHEMBL14722421 0.82 PRSS1 (0.46) ALDH1A1MAPTS1PR1
SCHEMBL12727618 0.80 AR (0.38) ALDH1A1
SCHEMBL14723178 0.75 MEN1 (0.41) ALDH1A1PDK2MMP3
SCHEMBL14723332 0.75 MEN1 (0.41) ALDH1A1PDK2MMP3
SCHEMBL25616076 0.75 PDK2 (0.42) CNR2CNR1PDK2PTGDR2
SCHEMBL12416184 0.72 ENPP2 (0.43) MAPTENPP2FFAR4MMP3
SCHEMBL6430844 0.72 ALDH1A1 (0.48) CNR2ALDH1A1HPGDS1PR1
SCHEMBL15869791 0.71 FDPS (0.46) CNR2ALDH1A1HPGDMAPT
SCHEMBL9975472 0.71 MAPT (0.49) CNR2ALDH1A1CNR1MAPTS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9366906-B2 Photoreactive compounds ROLIC AG (CH) 2016-06-14 US disclosed
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2014-07-10 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-20140192305-A1 PHOTOREACTIVE COMPOUNDS PCNA, CRY1, CRY2 CNR2 2573/4885ALDH1A1 2806/4885HPGD 3576/4885

“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.