SCHEMBL21646322

SCHEMBL21646322

C=CCCCCCCCCC(C#N)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.38
TSHR P16473 2/20 0.36
ABCC4 O15439 1/20 0.36
CPB2 Q96IY4 1/20 0.35
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
CYP2C9 P11712 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
FAAH O00519 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2075362 0.87 ALDH1A1 (0.38) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL31650863 0.84 FAAH (0.47) USP2MAPTALDH1A1CYP3A4LMNA
SCHEMBL21646323 0.84 ALDH1A1 (0.49) MAPTALDH1A1CYP3A4HPGDLMNA
SCHEMBL23341568 0.84 FAAH (0.50) USP2MAPTCYP3A4LMNARECQL
SCHEMBL21646316 0.84 FAAH (0.47) USP2MAPTALDH1A1CYP3A4LMNA
SCHEMBL29374123 0.82 ZDHHC7 (0.43) MAPTLMNACPB2FAAH
SCHEMBL17079750 0.82 ZDHHC7 (0.43) MAPTLMNACPB2FAAH
SCHEMBL21646318 0.82 ZDHHC7 (0.43) MAPTLMNACPB2FAAH
SCHEMBL28288321 0.82 ZDHHC7 (0.43) MAPTLMNACPB2FAAH
SCHEMBL28386055 0.81 CPB2 (0.38) ALDH1A1SMN1; SMN2LMNATSHRCPB2

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 USP2 3371/4885MAPT 4091/4885ALDH1A1 837/4885

“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.