SCHEMBL17526754

SCHEMBL17526754

CCCCCC[C@H](CC)CCO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
ALDH1A1 P00352 4/20 0.58
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 2/20 0.44
OPRM1 P35372 1/20 0.44
CYP2D6 P10635 2/20 0.43
SPHK1 Q9NYA1 1/20 0.43
GMNN O75496 1/20 0.43
POLB P06746 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL2868648 1.00 LMNA (0.65) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL17526390 1.00 LMNA (0.65) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL6440282 1.00 LMNA (0.65) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL3101113 1.00 LMNA (0.65) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL234696 1.00 LMNA (0.65) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL20679026 1.00 LMNA (0.65) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL17526497 0.97 ALDH1A1 (0.61) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL979055 0.97 ALDH1A1 (0.61) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL17526642 0.97 ALDH1A1 (0.61) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL7209399 0.93 LMNA (0.62) LMNAALDH1A1TSHRHSD17B10MEN1

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.