SCHEMBL19019199

SCHEMBL19019199

CCCC(CC)Nc1cc(OCC)ccc1OCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
CRHR1 P34998 1/20 0.39
PLAU P00749 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CHEK1 O14757 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
SCHEMBL19009072 0.80 L3MBTL1 (0.50) EPHX1HTTTSHRALDH1A1L3MBTL1
SCHEMBL20746923 0.76 IDO1 (0.44) EPHX1HTTTSHRALDH1A1L3MBTL1
SCHEMBL11314245 0.75 EPHX1 (0.46) EPHX1HTTTSHRALDH1A1L3MBTL1
SCHEMBL11523980 0.74 EPHX1 (0.54) EPHX1HTTTSHRALDH1A1L3MBTL1
SCHEMBL28517016 0.73 EPHX1 (0.52) EPHX1HTTTSHRALDH1A1L3MBTL1
SCHEMBL9182141 0.68 EPHX1 (0.74) EPHX1HTTTSHRALDH1A1L3MBTL1
SCHEMBL28501781 0.68 EPHX1 (0.52) EPHX1HTTTSHRALDH1A1L3MBTL1
SCHEMBL11314249 0.68 EPHX1 (0.45) EPHX1HTTTSHRALDH1A1L3MBTL1
SCHEMBL26816546 0.68 EPHX1 (0.61) EPHX1HTTTSHRALDH1A1L3MBTL1
SCHEMBL29657372 0.67 NQO1 (0.59) EPHX1TSHRALDH1A1L3MBTL1KDM4E

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-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 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-20170174639-A1 EIS INHIBITORS ABCC1, ATP5ME, ABCG2 EPHX1 1778/4885TAS1R3 4352/4885TAS1R1 4219/4885

“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.