SCHEMBL19628591

SCHEMBL19628591

CCC[C@H](O)CCCCO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
FFAR4 Q5NUL3 1/20 0.43
FFAR1 O14842 1/20 0.43
PSMD14 O00487 2/20 0.42
PLA2G1B P04054 2/20 0.42
MMP2 P08253 2/20 0.42
ATG4B Q9Y4P1 2/20 0.42
HSP90AA1 P07900 1/20 0.42
RAD52 P43351 1/20 0.42
NFKB1 P19838 1/20 0.42
GPR84 Q9NQS5 5/20 0.41
PTPN1 P18031 1/20 0.36

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
SCHEMBL397417 1.00 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL19206170 0.97 LMNA (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL554201 0.97 LMNA (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
Hydrochloric Acid SCHEMBL7218925 0.97 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL12491699 0.97 LMNA (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL2769803 0.97 LMNA (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL12491551 0.97 LMNA (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL12491604 0.97 LMNA (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL19206235 0.97 LMNA (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL19206259 0.97 LMNA (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1

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-20170334831-A1 Kinetic resolution of racemic hydroxy ester via asymmetric catalytic hydrogenation and application thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2017-11-23 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-20170334831-A1 Kinetic resolution of racemic hydroxy ester via asymmetric catalytic hydrogenation and application thereof CYP8B1, CYP3A5, HRH4 SMN1; SMN2 2704/4885LMNA 1184/4885ALDH1A1 2416/4885

“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.