SCHEMBL17526445

SCHEMBL17526445

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.44
BLM P54132 1/20 0.34
PTPN1 P18031 1/20 0.34
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
CETP P11597 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL17526539 1.00 LMNA (0.56) LMNAALDH1A1TSHRBLMPTPN1
SCHEMBL11110163 0.95 LMNA (0.62) LMNAALDH1A1TSHRBLMPTPN1
SCHEMBL17526784 0.95 LMNA (0.62) LMNAALDH1A1TSHRBLMPTPN1
SCHEMBL17526637 0.95 LMNA (0.62) LMNAALDH1A1TSHRBLMPTPN1
SCHEMBL17526548 0.93 LMNA (0.67) LMNAALDH1A1TSHRBLMCYP3A4
SCHEMBL17526404 0.93 LMNA (0.67) LMNAALDH1A1TSHRBLMCYP3A4
SCHEMBL17526924 0.91 ALDH1A1 (0.62) LMNAALDH1A1TSHRBLMPTPN1
SCHEMBL4605043 0.91 ALDH1A1 (0.62) LMNAALDH1A1TSHRBLMPTPN1
SCHEMBL14700022 0.87 LMNA (0.64) LMNAALDH1A1TSHRBLMCYP3A4
SCHEMBL10878919 0.87 LMNA (0.56) LMNAALDH1A1TSHRBLMPTPN1

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 2376/4885TSHR 4131/4885

“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.