SCHEMBL13034075

SCHEMBL13034075

CC(=O)OCCCC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ EPHX1 P07099 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.48
▸ FKBP1A P62942 6/20 0.48
▸ NAAA Q02083 8/20 0.47

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
SCHEMBL6931991 0.98 SMN1; SMN2 (0.56) SMN1; SMN2EPHX1ALDH1A1FKBP1ANAAA
SCHEMBL19842292 0.98 SMN1; SMN2 (0.56) SMN1; SMN2EPHX1ALDH1A1FKBP1ANAAA
SCHEMBL10263186 0.92 EPHX1 (0.61) SMN1; SMN2EPHX1FKBP1ANAAA
SCHEMBL23471400 0.92 ALDH1A1 (0.52) SMN1; SMN2EPHX1ALDH1A1FKBP1ANAAA
SCHEMBL8893237 0.91 EPHX1 (0.59) SMN1; SMN2EPHX1FKBP1ANAAA
SCHEMBL8894777 0.88 EPHX1 (0.42) SMN1; SMN2EPHX1ALDH1A1FKBP1ANAAA
SCHEMBL8896243 0.86 EPHX1 (0.45) SMN1; SMN2EPHX1ALDH1A1NAAA
SCHEMBL23471057 0.86 ALDH1A1 (0.50) SMN1; SMN2EPHX1ALDH1A1FKBP1ANAAA
SCHEMBL28720305 0.86 EPHX1 (0.45) SMN1; SMN2EPHX1ALDH1A1NAAA
SCHEMBL18439 0.86 EPHX1 (0.45) SMN1; SMN2EPHX1ALDH1A1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 — — US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 — — US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 — — US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 — — US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 — — US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 — — US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 — — US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 — — 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMN1; SMN2 1394/4885EPHX1 1428/4885ALDH1A1 617/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMN1; SMN2 1394/4885EPHX1 1428/4885ALDH1A1 617/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMN1; SMN2 1394/4885EPHX1 1428/4885ALDH1A1 617/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMN1; SMN2 1394/4885EPHX1 1428/4885ALDH1A1 617/4885

“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.

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