SCHEMBL20159531

SCHEMBL20159531

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nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32
TSHR P16473 1/20 0.32
GALR3 O60755 1/20 0.31
GAA P10253 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
SCHEMBL31058445 0.69 ALDH1A1 (0.31) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL31058441 0.69 ALDH1A1 (0.31) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL31058443 0.69 ALDH1A1 (0.31) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL31058437 0.69 ALDH1A1 (0.31) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL31058440 0.69 ALDH1A1 (0.31) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL15903815 0.67 ALDH1A1 (0.34) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL15908517 0.67 ALDH1A1 (0.34) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL15908512 0.67 ALDH1A1 (0.34) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL27831775 0.65 ALDH1A1 (0.43) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL11551752 0.65 ALDH1A1 (0.39) ALDH1A1CHRM5CHRM1CHRM3PGR

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-10221122-B2 Enantiospecific process for the preparation of (R) and (S) enantiomers of sex pheromonoes of the long tailed mealy bug COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-03-05 US disclosed
US-20180134650-A1 AN ENANTIOSPECIFIC PROCESS FOR THE PREPARATION OF (R) AND (S) ENANTIOMERS OF SEX PHEROMONOES OF THE LONG TAILED MEALY BUG COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-05-17 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 (2 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-20180134650-A1 AN ENANTIOSPECIFIC PROCESS FOR THE PREPARATION OF (R) AND (S) ENANTIOMERS OF SEX PHEROMONOES OF THE LONG TAILED MEALY BUG SHBG, LHCGR, BMPR1B ALDH1A1 3669/4885CHRM5 570/4885CHRM1 540/4885
US-10221122-B2 Enantiospecific process for the preparation of (R) and (S) enantiomers of sex pheromonoes of the long tailed mealy bug SHBG, LHCGR, CYP4A11 ALDH1A1 3486/4885CHRM5 569/4885CHRM1 682/4885

“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.