SCHEMBL20528289

SCHEMBL20528289

C=CCCCCCCCCCCCCCC=C=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPT P10636 3/20 0.44
ABCC4 O15439 1/20 0.44
TRPA1 O75762 3/20 0.41
ALDH1A1 P00352 6/20 0.39
LMNA P02545 3/20 0.39
LPAR3 Q9UBY5 2/20 0.39
LPAR2 Q9HBW0 1/20 0.39
USP2 O75604 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
HPGD P15428 2/20 0.31
CYP3A4 P08684 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 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
SCHEMBL28126423 1.00 TSHR (0.46) TSHRMAPTABCC4TRPA1ALDH1A1
SCHEMBL5839351 1.00 TSHR (0.46) TSHRMAPTABCC4TRPA1ALDH1A1
SCHEMBL6528515 1.00 TSHR (0.46) TSHRMAPTABCC4TRPA1ALDH1A1
SCHEMBL5837816 0.97
SCHEMBL9132389 0.89 TSHR (0.67) TSHRMAPTABCC4TRPA1ALDH1A1
SCHEMBL8423128 0.86 TSHR (0.30) TSHR
SCHEMBL517125 0.86 TSHR (0.30) TSHR
SCHEMBL662994 0.83
SCHEMBL1685370 0.80
SCHEMBL4833922 0.79

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-20180290959-A1 USE OF NOVEL MIXTURES OF (E/Z) CYCLOPENTADECENONE ISOMERS, THE PRODUCTION AND USE THEREOF AS FLAVORING SUBSTANCE BASF SE (DE) 2018-10-11 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-20180290959-A1 USE OF NOVEL MIXTURES OF (E/Z) CYCLOPENTADECENONE ISOMERS, THE PRODUCTION AND USE THEREOF AS FLAVORING SUBSTANCE OR51E2, OR10J3, ZDHHC20 TSHR 4657/4885MAPT 2745/4885ABCC4 1007/4885

“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.