SCHEMBL4354667

SCHEMBL4354667

C=CC([O])NCCCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
EPHX1 P07099 9/20 0.41
ADH1B P00325 2/20 0.41
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
ADH7 P40394 2/20 0.41
ADH4 P08319 1/20 0.41
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.34
PPARA Q07869 2/20 0.33
DPP7 Q9UHL4 1/20 0.32
FAAH O00519 1/20 0.32
CASP2 P42575 1/20 0.32

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
SCHEMBL1493994 0.74 EPHX1 (0.41) ZDHHC20ZDHHC2EPHX1ADH1BADH1C
SCHEMBL299757 0.74 ZDHHC20 (0.42) ZDHHC20ZDHHC2EPHX1ADH1BADH1C
SCHEMBL5669161 0.74 TSHR (0.39) ZDHHC20ZDHHC2EPHX1ADH1BADH1C
SCHEMBL9579992 0.74 TSHR (0.39) ZDHHC20ZDHHC2EPHX1ADH1BADH1C
SCHEMBL7650979 0.74 TSHR (0.39) ZDHHC20ZDHHC2EPHX1ADH1BADH1C
SCHEMBL23889733 0.72 ZDHHC20 (0.37) ZDHHC20ZDHHC2EPHX1ADH1BADH1C
Hydrochloric Acid SCHEMBL22771812 0.72 ZDHHC20 (0.37) ZDHHC20ZDHHC2EPHX1ADH1BADH1C
SCHEMBL22236421 0.72 ZDHHC20 (0.37) ZDHHC20ZDHHC2EPHX1ADH1BADH1C
SCHEMBL7648112 0.72 ZDHHC20 (0.41) ZDHHC20ZDHHC2EPHX1ADH1BADH1C
SCHEMBL3796968 0.72 ZDHHC20 (0.41) ZDHHC20ZDHHC2EPHX1ADH1BADH1C

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-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS GILEAD SCIENCES, INC. 2009-12-17 US claimed

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-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS SERPINB1, ABCC1, SERPINB6 ZDHHC20 3498/4885ZDHHC2 3209/4885EPHX1 1028/4885

“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.