SCHEMBL13548841

SCHEMBL13548841

COC(=O)c1ccc2c(c1)CCc1cc(C(=O)OC)ccc1C2Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
XDH P47989 1/20 0.46
RAB9A P51151 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
TRPA1 O75762 1/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL13550864 0.90 TRPA1 (0.50) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL30585547 0.88 CHRNB2 (0.47) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL13548830 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL30585545 0.85 CHRNB2 (0.45) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL29726922 0.85 CHRNB2 (0.45) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL12050855 0.84 LOXL2 (0.39) CHRNB2CHRNA4RAB9AMEN1KMT2A
SCHEMBL8136759 0.83 KMT2A (0.48) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL13550873 0.81 CA1 (0.50) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL13548827 0.80 CHRNB2 (0.46) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL16499816 0.79 CHRNB2 (0.48) CHRNB2CHRNA4CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 CHRNB2 4687/4885CHRNA4 3702/4885CA12 2671/4885

“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.