SCHEMBL10322965

SCHEMBL10322965

CCOCCOCCOCCC(CCOCCOCCOCC)(CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL3689750 1.00 ALDH1A1 (0.39) ALDH1A1TSHRTHRBCYP2D6CYP2C19
SCHEMBL1301903 0.96 ALDH1A1 (0.38) ALDH1A1TSHRTHRBCYP2D6CYP2C19
SCHEMBL16837165 0.86 TSHR (0.39) ALDH1A1TSHRTHRB
SCHEMBL3690393 0.86 TSHR (0.39) ALDH1A1TSHRTHRB
SCHEMBL16837174 0.86 TSHR (0.39) ALDH1A1TSHRTHRB
SCHEMBL2044696 0.85 CYP2D6 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL28538611 0.84 ALDH1A1 (0.43) ALDH1A1TSHRTHRBNPC1HPGD
SCHEMBL1302514 0.84 TSHR (0.41) ALDH1A1TSHRTHRBFFAR1CPT2
SCHEMBL3693090 0.81 TSHR (0.36) ALDH1A1TSHRTHRBFFAR1TDP1
SCHEMBL1302165 0.76 AKR1B1 (0.38) ALDH1A1TSHRTHRBFFAR1TDP1

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 4276/4885THRB 3426/4885

“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.