SCHEMBL17526541

SCHEMBL17526541

CC[C@@H](CCO)CCCCCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ALDH1A1 P00352 4/20 0.44
CA2 P00918 2/20 0.36
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
OPRM1 P35372 1/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
TRPA1 O75762 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL17526688 1.00 LMNA (0.44) LMNAALDH1A1CA2TDP1TSHR
SCHEMBL17526518 0.98 ALDH1A1 (0.46) LMNAALDH1A1CA2TDP1TSHR
SCHEMBL17526728 0.98 ALDH1A1 (0.46) LMNAALDH1A1CA2TDP1TSHR
SCHEMBL317730 0.93 ALDH1A1 (0.46) LMNAALDH1A1CA2TDP1TSHR
SCHEMBL17526511 0.93 ALDH1A1 (0.46) LMNAALDH1A1CA2TDP1TSHR
SCHEMBL17526505 0.93 ALDH1A1 (0.46) LMNAALDH1A1CA2TDP1TSHR
SCHEMBL7928729 0.90 ALDH1A1 (0.52) LMNAALDH1A1CA2TDP1TSHR
SCHEMBL10045743 0.86 LMNA (0.54) LMNAALDH1A1CA2TDP1TSHR
SCHEMBL316934 0.86 LMNA (0.54) LMNAALDH1A1CA2TDP1TSHR
SCHEMBL7627202 0.86 ALDH1A1 (0.62) LMNAALDH1A1CA2TDP1TSHR

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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 LMNA 3497/4885ALDH1A1 2376/4885CA2 1053/4885

“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.