SCHEMBL7250719

SCHEMBL7250719

CCCCC(O[C]=O)C(=O)OCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.36
CA1 P00915 3/20 0.36
TSHR P16473 5/20 0.36
CYP3A4 P08684 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
CTSK P43235 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6155074 0.90 TSHR (0.36) TSHRALDH1A1SMN1; SMN2
SCHEMBL3929628 0.80 CYP3A4 (0.51) CA2TSHRCYP3A4ATMTDP1
SCHEMBL9986194 0.80 CYP3A4 (0.51) CA2TSHRCYP3A4ATMTDP1
SCHEMBL10377995 0.79 CA2 (0.35) CA2CA1TSHRCYP3A4ATM
SCHEMBL185251 0.78 MAPT (0.42) CA2CA1MAPTALDH1A1ZDHHC7
SCHEMBL7959392 0.78 NAAA (0.43) CA2CA1TSHRCYP3A4MAPT
SCHEMBL7712595 0.78 TSHR (0.45) CA2CA1TSHRCYP3A4ATM
SCHEMBL9737113 0.78 FAAH (0.51) CA1L3MBTL1MAPTALDH1A1ZDHHC7
SCHEMBL9161765 0.77 MAPT (0.44) CA2CA1TSHRATMMAPT
SCHEMBL6388508 0.77 NAAA (0.46) CA2CA1TSHRMAPTALDH1A1

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-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2003-02-20 US claimed

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-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR CA2 1552/4885CA1 4120/4885TSHR 1277/4885

“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.