SCHEMBL21646316

SCHEMBL21646316

CCCC/C=C\CCCCCCCCCCC(C#N)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.47
F7 P08709 2/20 0.42
F3 P13726 2/20 0.42
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
HSD17B10 Q99714 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TERT O14746 3/20 0.39
PTPN1 P18031 3/20 0.39
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
CYP2C19 P33261 2/20 0.39
BLM P54132 2/20 0.39

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
SCHEMBL31650863 1.00 FAAH (0.47) FAAHF7F3FFAR1FFAR4
SCHEMBL23341568 0.97 FAAH (0.50) FAAHF7F3FFAR1FFAR4
SCHEMBL21646323 0.91 ALDH1A1 (0.49) FAAHF7F3FFAR1FFAR4
SCHEMBL21646318 0.88 ZDHHC7 (0.43) FAAHFFAR1FFAR4PPARDMAPT
SCHEMBL28288321 0.88 ZDHHC7 (0.43) FAAHFFAR1FFAR4PPARDMAPT
SCHEMBL17079750 0.88 ZDHHC7 (0.43) FAAHFFAR1FFAR4PPARDMAPT
SCHEMBL29374123 0.88 ZDHHC7 (0.43) FAAHFFAR1FFAR4PPARDMAPT
SCHEMBL1325862 0.86 ZDHHC7 (0.41) FAAHFFAR1ALDH1A1TSHRPPARD
SCHEMBL9562158 0.84 CA2 (0.40) HSD17B10CYP3A4TDP1ALDH1A1TSHR
SCHEMBL21646322 0.84 USP2 (0.43) FAAHCYP3A4ALDH1A1TSHRMAPT

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-20210130270-A1 SYNTHESIS OF STRAIGHT-CHAIN LEPIDOPTERAN PHEROMONES THROUGH ONE- OR TWO- CARBON HOMOLOGATION OF FATTY ALKENES PROVIVI, INC. (US) 2021-05-06 US disclosed
WO-2020018581-A1 SYNTHESIS OF STRAIGHT-CHAIN LEPIDOPTERAN PHEROMONES THROUGH ONE- OR TWO- CARBON HOMOLOGATION OF FATTY ALKENES PROVIVI, INC. (US) 2020-01-23 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-20210130270-A1 SYNTHESIS OF STRAIGHT-CHAIN LEPIDOPTERAN PHEROMONES THROUGH ONE- OR TWO- CARBON HOMOLOGATION OF FATTY ALKENES COASY, FASN, CYP11A1 FAAH 126/4885F7 787/4885F3 1649/4885

“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.