SCHEMBL9935314

SCHEMBL9935314

CC(OOC(OC1CCC(C(=O)O)CC1)N1CCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
HPGD P15428 1/20 0.32
BTK Q06187 1/20 0.32
CTSL P07711 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
SCHEMBL2465398 0.80 HSD17B10 (0.40) HSD17B10KMT2ASMN1; SMN2HRH3HPGD
SCHEMBL2434333 0.78 SMN1; SMN2 (0.37) HSD17B10KMT2ASMN1; SMN2HRH3HPGD
SCHEMBL72596 0.76 HRH3 (0.37) KMT2ASMN1; SMN2HRH3HPGDCTSL
SCHEMBL5681663 0.76 GAA (0.33) HSD17B10KMT2AHPGD
SCHEMBL71665 0.75 ALDH1A1 (0.40) KMT2ASMN1; SMN2HRH3CTSL
SCHEMBL71003 0.72 HSD17B10 (0.36) HSD17B10KMT2ASMN1; SMN2HRH3HPGD
SCHEMBL3825201 0.69 HSD17B10 (0.45) HSD17B10KMT2ASMN1; SMN2HRH3HPGD
SCHEMBL2429386 0.68 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2HRH3HPGDCTSL
SCHEMBL2438306 0.68 ALDH1A1 (0.40) KMT2ASMN1; SMN2HRH3CTSL
SCHEMBL2434806 0.68 ALDH1A1 (0.46) KMT2ASMN1; SMN2HRH3CTSL

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-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 HSD17B10 651/4885KMT2A 568/4885SMN1; SMN2 4739/4885

“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.