SCHEMBL11697159

SCHEMBL11697159

C=CCCCCCCCCC(C)(C)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
MAPT P10636 2/20 0.41
ABCC4 O15439 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
ACLY P53396 1/20 0.38
LPAR3 Q9UBY5 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
TRPA1 O75762 1/20 0.34
ALOX15 P16050 1/20 0.34
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17520315 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL7606780 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL18480166 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL3121245 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL22366994 0.98 TSHR (0.44) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL4646715 0.90
SCHEMBL28891166 0.82 TSHR (0.44) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL16302651 0.82 TSHR (0.44) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL22368446 0.81 TSHR (0.36) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL14088846 0.81 TSHR (0.36) TSHRMAPTABCC4ALDH1A1LMNA

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 5 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
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
US-4002179-A Smoking compositions incorporating a menthol-release agent PHILIP MORRIS INCORPORATED (US) 1977-01-11 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-20170247314-A1 FRAGRANCES FROM THE ESTERS OF FATTY ACIDS ELOVL5, FASN, ELOVL1 TSHR 4078/4885MAPT 2179/4885ABCC4 2021/4885

“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.