SCHEMBL17523804

SCHEMBL17523804

CC(C)CCC[C@H](CO)CCC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.35
PTPN1 P18031 2/20 0.33
PTPN2 P17706 1/20 0.33
CDC25B P30305 1/20 0.33
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.31
RIPK1 Q13546 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
SCHEMBL17523805 1.00 LMNA (0.40) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL17523865 0.96 LMNA (0.45) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL17523866 0.96 LMNA (0.45) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL17523949 0.94 LMNA (0.48) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL17523947 0.94 LMNA (0.48) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL25371761 0.87 TSHR (0.35) LMNAALDH1A1TSHRRIPK1
SCHEMBL17523806 0.83 LMNA (0.43) LMNAALDH1A1RIPK1
SCHEMBL17523807 0.83 LMNA (0.43) LMNAALDH1A1RIPK1
SCHEMBL10878919 0.82 LMNA (0.56) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL17523869 0.81 LMNA (0.46) LMNAALDH1A1RIPK1

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 3497/4885MEN1 786/4885CYP3A4 1071/4885

“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.