SCHEMBL22688274

SCHEMBL22688274

CC(C)COCCCCCC(C)(C)C(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
SPHK1 Q9NYA1 2/20 0.35
SPHK2 Q9NRA0 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PLA2G2C Q5R387 4/20 0.33
ACLY P53396 1/20 0.33
USP2 O75604 1/20 0.32
CES2 O00748 2/20 0.31
HTT P42858 1/20 0.31
LPAR5 Q9H1C0 1/20 0.30

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
SCHEMBL2988405 0.84 CYP4F2 (0.36) ACACBACACACYP4F2CYP4A11ACLY
SCHEMBL2988784 0.77 CYP4F2 (0.33) ACACBACACACYP4F2CYP4A11ACLY
SCHEMBL23613258 0.76 CYP2D6 (0.35) SPHK1SPHK2PLA2G2C
SCHEMBL21015967 0.76 SPHK1 (0.37) SPHK1SPHK2USP2HTT
SCHEMBL21016306 0.76 SPHK1 (0.37) SPHK1SPHK2USP2HTT
SCHEMBL23613454 0.75 PLA2G2C (0.30) PLA2G2C
SCHEMBL23872743 0.74 CNR1 (0.36) PLA2G2C
SCHEMBL21015899 0.74 HRH3 (0.38) SPHK1SPHK2USP2HTT
SCHEMBL10119365 0.73 SPHK1 (0.44) SPHK1SPHK2PLA2G2CUSP2HTT
SCHEMBL31086433 0.73 SPHK1 (0.44) SPHK1SPHK2PLA2G2CUSP2HTT

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-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 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-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 ACACB 969/4885ACACA 266/4885SPHK1 3873/4885

“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.