SCHEMBL628846

SCHEMBL628846

COC(=O)C(C)C(=O)CCl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CA14 Q9ULX7 3/20 0.37
CA12 O43570 2/20 0.34
KMT2A Q03164 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 2/20 0.33
FAAH O00519 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL114574 0.78 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12KMT2ACA1
SCHEMBL19995249 0.76 SMN1; SMN2 (0.37) SMN1; SMN2CA14CA12KMT2ACA1
SCHEMBL28316523 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12KMT2ACA1
SCHEMBL2482614 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12KMT2ACA1
SCHEMBL28812072 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12KMT2ACA1
SCHEMBL5143415 0.76 MGAM (0.44) SMN1; SMN2CA14CA12KMT2ACA1
SCHEMBL28341112 0.76 SMN1; SMN2 (0.44) SMN1; SMN2CA14CA12KMT2ACA1
SCHEMBL1663158 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12KMT2ACA1
Water SCHEMBL28808045 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12KMT2ACA1
SCHEMBL18172278 0.76 ALDH1A1 (0.40) SMN1; SMN2CA14CA12KMT2ACA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
EP-2419412-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-02-22 EP disclosed
WO-2010120741-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (US) 2010-10-21 WO 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-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) RBP4, RBP1, FABP4 SMN1; SMN2 3564/4885CA14 3269/4885CA12 3918/4885

“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.