SCHEMBL12061986

SCHEMBL12061986

C=C(CC)NCCCCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
CASP2 P42575 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
FAAH O00519 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NAAA Q02083 1/20 0.42
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL24133452 0.98 EPHX1 (0.54) EPHX1ZDHHC20ZDHHC2CASP2ALDH1A1
SCHEMBL26192818 0.98 EPHX1 (0.54) EPHX1ZDHHC20ZDHHC2CASP2ALDH1A1
SCHEMBL26750525 0.98 EPHX1 (0.54) EPHX1ZDHHC20ZDHHC2CASP2ALDH1A1
SCHEMBL25971770 0.98 EPHX1 (0.54) EPHX1ZDHHC20ZDHHC2CASP2ALDH1A1
SCHEMBL7796308 0.92
SCHEMBL21251603 0.83 CASP2 (0.54) EPHX1ZDHHC20ZDHHC2CASP2ALDH1A1
SCHEMBL23394747 0.83 CASP2 (0.48) EPHX1ZDHHC20ZDHHC2CASP2ALDH1A1
SCHEMBL8986277 0.83 CASP2 (0.48) EPHX1ZDHHC20ZDHHC2CASP2ALDH1A1
SCHEMBL19936681 0.82 FAAH (0.41) EPHX1ZDHHC20ZDHHC2CASP2FAAH
SCHEMBL7790036 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120219594-A1 Benzimidazole-imidazole Derivatives JANSSEN SCIENCES IRELAND UC (IE) 2012-08-30 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-20120219594-A1 Benzimidazole-imidazole Derivatives HAVCR2, CBR3, ZC3HAV1 EPHX1 4249/4885ZDHHC20 3086/4885ZDHHC2 2046/4885

“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.