SCHEMBL864256

SCHEMBL864256

CCCCCCN1CC=C[C]=C1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
EEF2K O00418 1/20 0.39
TLR8 Q9NR97 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.37
TSHR P16473 1/20 0.36
DHFR P00374 1/20 0.36
MAPT P10636 1/20 0.36
HSD11B1 P28845 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL864356 0.75 CCR1 (0.33) HTTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL863945 0.70 HTT (0.45) HTTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL31202626 0.67 KDM4E (0.42) HTTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9158078 0.67 KDM4E (0.42) HTTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL27812916 0.67 KDM4E (0.42) HTTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL27833019 0.67 KDM4E (0.42) HTTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL27843685 0.67 KDM4E (0.42) HTTALDH1A1CYP1A2CYP2D6CYP2C19
Biphenyl SCHEMBL27342649 0.67 ALDH1A1 (0.53) HTTALDH1A1CYP1A2CYP2D6CYP2C19
Biphenyl SCHEMBL5868587 0.67 ALDH1A1 (0.53) HTTALDH1A1CYP1A2CYP2D6CYP2C19
Dodecane SCHEMBL27916009 0.67 ALDH1A1 (0.53) HTTALDH1A1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US disclosed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 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-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE HTT 3699/4885ALDH1A1 779/4885CYP1A2 805/4885

“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.