SCHEMBL5142158

SCHEMBL5142158

CCCCCCCCCCCCC[CH]Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.50
SOAT1 P35610 1/20 0.50
EPHX1 P07099 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
EPHX2 P34913 5/20 0.41
FAAH O00519 2/20 0.41
KCNH3 Q9ULD8 1/20 0.40
ICMT O60725 1/20 0.40
ALB P02768 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NAAA Q02083 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.37
EGFR P00533 1/20 0.37
DNM1 Q05193 1/20 0.37

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
SCHEMBL5073196 1.00 SOAT2 (0.50) SOAT2SOAT1EPHX1ALDH1A1HTT
SCHEMBL3925721 0.98 SOAT2 (0.47) SOAT2SOAT1EPHX1ALDH1A1HTT
SCHEMBL3929076 0.92 SOAT2 (0.41) SOAT2SOAT1EPHX1ALDH1A1HTT
SCHEMBL6244975 0.84 ALDH1A1 (0.44) SOAT2SOAT1ALDH1A1NPSR1
SCHEMBL5077120 0.83 HTT (0.40) SOAT2SOAT1ALDH1A1HTTCNR1
SCHEMBL8389444 0.81 SOAT2 (0.55) SOAT2SOAT1EPHX1ALDH1A1HTT
SCHEMBL16972621 0.81 ALDH1A1 (0.39) SOAT2SOAT1EPHX1ALDH1A1HTT
SCHEMBL132640 0.81 ALDH1A1 (0.39) SOAT2SOAT1EPHX1ALDH1A1HTT
SCHEMBL7918293 0.79 SOAT2 (0.53) SOAT2SOAT1EPHX1ALDH1A1HTT
SCHEMBL28035676 0.76 ALDH1A1 (0.41) ALDH1A1KCNH3NPSR1GAA

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-7301029-B2 Bipyridine Derivatives FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-11-27 US disclosed
US-20050085642-A1 Novel bipyridine derivatives SANKIO CHEMICAL CO., LTD. 2005-04-21 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-20050085642-A1 Novel bipyridine derivatives PFAS, CBR3, Q6ZSR9 SOAT2 4208/4885SOAT1 4522/4885EPHX1 4419/4885

“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.