SCHEMBL17520243

SCHEMBL17520243

CC(C)(O)CCCCCCCCC=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
FAAH O00519 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
ACLY P53396 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MAPT P10636 1/20 0.31
FDPS P14324 5/20 0.30
GGPS1 O95749 2/20 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
SCHEMBL17500181 1.00 TSHR (0.48) TSHRFAAHTRPV1ACLYALDH1A1
SCHEMBL9391580 1.00 TSHR (0.48) TSHRFAAHTRPV1ACLYALDH1A1
SCHEMBL12204769 1.00 TSHR (0.48) TSHRFAAHTRPV1ACLYALDH1A1
SCHEMBL27509626 0.90
SCHEMBL16600537 0.83 TSHR (0.44) TSHRFAAHTRPV1ACLYALDH1A1
SCHEMBL7704790 0.82 ALDH1A1 (0.38) TSHRFAAHTRPV1ACLYALDH1A1
SCHEMBL11590002 0.80 TSHR (0.43) TSHRFAAHTRPV1ACLYHIF1A
SCHEMBL17822144 0.80 TSHR (0.48) TSHRFAAHTRPV1ACLYALDH1A1
SCHEMBL16491137 0.80 TSHR (0.52) TSHRFAAHTRPV1ACLYALDH1A1
SCHEMBL537433 0.80 TSHR (0.52) TSHRFAAHTRPV1ACLYALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247314-A1 FRAGRANCES FROM THE ESTERS OF FATTY ACIDS P2 SCIENCE, INC. 2017-08-31 US disclosed
WO-2017139637-A1 FRAGRANCE COMPOSITIONS COMPRISING COMPOUNDS WITH OLFACTORY QUALITIES P2 SCIENCE, INC. (US) 2017-08-17 WO disclosed
WO-2016022803-A2 FRAGRANCES FROM THE ESTERS OF FATTY ACIDS P2 SCIENCE, INC. (US) 2016-02-11 WO 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-20170247314-A1 FRAGRANCES FROM THE ESTERS OF FATTY ACIDS ELOVL5, FASN, ELOVL1 TSHR 4078/4885FAAH 7/4885TRPV1 21/4885

“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.