SCHEMBL10322962

SCHEMBL10322962

CCOCCOC(C)(OCCOCC)OC(=O)CCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
THRB P10828 1/20 0.33
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
LMNA P02545 1/20 0.30
ALKBH5 Q6P6C2 1/20 0.30
SUCNR1 Q9BXA5 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
SCHEMBL297784 0.84 EGLN1 (0.41) ALDH1A1TSHREGLN1KDM6BKDM5C
SCHEMBL523077 0.81 AKR1B1 (0.41) ALDH1A1TSHREGLN1KDM6BKDM5C
SCHEMBL4249812 0.79 DGKA (0.46) ALDH1A1TSHR
SCHEMBL719196 0.78 AKR1B1 (0.43) ALDH1A1TSHR
Succinic Acid SCHEMBL4803598 0.78 ALDH1A1 (0.54) ALDH1A1TSHREGLN1KDM6BKDM5C
SCHEMBL297783 0.76 TSHR (0.36) ALDH1A1TSHRLMNA
Succinic Acid SCHEMBL1234712 0.75 ALDH1A1 (0.52) ALDH1A1TSHREGLN1KDM6BKDM5C
SCHEMBL10613663 0.75 AKR1B1 (0.45) ALDH1A1TSHR
SCHEMBL2306714 0.74 ALDH1A1 (0.54) ALDH1A1TSHREGLN1KDM6BKDM5C
SCHEMBL522534 0.74 TSHR (0.44) ALDH1A1TSHRLMNA

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-9255058-B2 Complex alcohol ester composition, method for production same, and use of same FUJIFILM CORPORATION (JP) 2016-02-09 US disclosed
US-20120184474-A1 COMPLEX ALCOHOL ESTER COMPOSITION, METHOD FOR PRODUCTION SAME, AND USE OF SAME FUJIFILM CORPORATION (JP) 2012-07-19 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 (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-20120184474-A1 COMPLEX ALCOHOL ESTER COMPOSITION, METHOD FOR PRODUCTION SAME, AND USE OF SAME ADH1C, ADH1A, ASH2L ALDH1A1 922/4885TSHR 4276/4885EGLN1 1792/4885

“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.