SCHEMBL16207202

SCHEMBL16207202

CCCC1CC1CCCO

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
CNR2 P34972 8/20 0.35
CNR1 P21554 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
SCHEMBL16207212 0.93 ALOX5 (0.40) ALOX5ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL14546126 0.90 ALOX5 (0.48) ALOX5ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL15960434 0.85 ALOX5 (0.46) ALOX5ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL24599953 0.81 ALOX5 (0.60) ALOX5ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL15959624 0.81 ALOX5 (0.60) ALOX5ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL13060191 0.81 ALOX5 (0.60) ALOX5ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL14873017 0.81 CA1 (0.56) ALDH1A1SMN1; SMN2CA1CA2CA4
SCHEMBL12036601 0.81 ALOX5 (0.60) ALOX5ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL11913449 0.81 ALOX5 (0.60) ALOX5ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL16411466 0.81

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-9163032-B2 Esters of DCPLA and methods of treatment using the same Blanchette Rockefeller Neurosciences Insitute (US) 2015-10-20 US disclosed
US-20140323456-A1 ESTERS OF DCPLA AND METHODS OF TREATMENT USING THE SAME COGNITIVE RESEARCH ENTERPRISES, INC. 2014-10-30 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-20140323456-A1 ESTERS OF DCPLA AND METHODS OF TREATMENT USING THE SAME LIPA, PCCA, PNLIP ALOX5 130/4885ALDH1A1 780/4885SMN1; SMN2 3446/4885

“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.