SCHEMBL6133376

SCHEMBL6133376

O=C(O)CC(=O)COC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
ATF4 P18848 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NAAA Q02083 2/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL15159536 0.83 THRA (0.42) EPHX1ALDH1A1THRATHRBNPC1
SCHEMBL1734827 0.83 THRA (0.42) EPHX1ALDH1A1THRATHRBNPC1
SCHEMBL9132526 0.83 THRA (0.42) EPHX1ALDH1A1THRATHRBNPC1
SCHEMBL27451178 0.83 THRA (0.42) EPHX1ALDH1A1THRATHRBNPC1
SCHEMBL16204628 0.83 THRA (0.42) EPHX1ALDH1A1THRATHRBNPC1
SCHEMBL24564741 0.83 THRA (0.42) EPHX1ALDH1A1THRATHRBNPC1
SCHEMBL27437029 0.82 EPHX1 (0.42) EPHX1NPSR1ATF4NPC1NAAA
SCHEMBL5672230 0.81 EPHX2 (0.42) EPHX1NPSR1ATF4NAAACYP2C19
SCHEMBL360541 0.81 ITGB3 (0.41) EPHX1THRATHRBATF4NPC1
SCHEMBL7900018 0.78 EPHX2 (0.40) EPHX1NPSR1ATF4NAAACYP2C19

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-20050075342-A1 Pyrrolopyridazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-07 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-20050075342-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 EPHX1 997/4885ALDH1A1 328/4885NPSR1 1002/4885

“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.