SCHEMBL19004791

SCHEMBL19004791

CC(C)C(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CA2 P00918 5/20 0.42
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA4 P22748 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.35
GLP1R P43220 8/20 0.34

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
SCHEMBL20226534 0.96 MEN1 (0.49) MEN1KMT2ACA2CA12CA1
SCHEMBL25812337 0.95 MEN1 (0.46) MEN1KMT2ACA2CA12CA1
SCHEMBL26167787 0.93 KMT2A (0.54) MEN1KMT2ACA2CA12CA1
SCHEMBL16532922 0.93 MEN1 (0.46) MEN1KMT2ACA2CA12CA1
SCHEMBL12145805 0.93 MEN1 (0.46) MEN1KMT2ACA2CA12CA1
SCHEMBL21043286 0.93 MEN1 (0.46) MEN1KMT2ACA2CA12CA1
SCHEMBL26878210 0.92 KMT2A (0.45) MEN1KMT2ACA2CA12CA1
SCHEMBL13253969 0.92 MEN1 (0.45) MEN1KMT2ACA2CA12CA1
SCHEMBL26878205 0.92 KMT2A (0.45) MEN1KMT2ACA2CA12CA1
SCHEMBL26878200 0.92 KMT2A (0.45) MEN1KMT2ACA2CA12CA1

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-20170174722-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-22 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-20170174722-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT LCP1, BST2, ITGA2B MEN1 1824/4885KMT2A 950/4885CA2 3873/4885

“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.