SCHEMBL1677868

SCHEMBL1677868

CCCC(CNCC)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.41
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SLC22A2 O15244 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 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
Hydrochloric Acid SCHEMBL1677812 0.98 EPHX2 (0.40) EPHX2KMT2AMEN1SLC22A2SLC47A1
SCHEMBL1678509 0.85 EPHX2 (0.54) EPHX2KMT2AMEN1SLC22A2SLC47A1
SCHEMBL1677909 0.76 SLC22A2 (0.43) EPHX2KMT2AMEN1SLC22A2SLC47A1
SCHEMBL657933 0.74 SLC22A2 (0.42) EPHX2KMT2AMEN1SLC22A2SLC47A1
SCHEMBL1981155 0.69 EPHX2 (0.51) EPHX2KMT2AMEN1SLC22A2SLC47A1
SCHEMBL136083 0.69 SLC22A2 (0.48) EPHX2KMT2AMEN1SLC22A2SLC47A1
SCHEMBL660251 0.67 SLC22A2 (0.52) KMT2AMEN1SLC22A2SLC47A1ALDH1A1
SCHEMBL14055077 0.67 SLC22A2 (0.41) EPHX2KMT2AMEN1SLC22A2SLC47A1
SCHEMBL28287615 0.67 SLC22A2 (0.41) EPHX2KMT2AMEN1SLC22A2SLC47A1
SCHEMBL4424458 0.67 ALDH1A1 (0.54) EPHX2KMT2AMEN1ALDH1A1MAPT

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-7923461-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 US disclosed
US-20100016380-A1 TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 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-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX2 2113/4885KMT2A 4664/4885MEN1 3108/4885

“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.