SCHEMBL2248696

SCHEMBL2248696

O=C(O)c1ccc(C2(c3ccc(O)cc3)CCC(C(F)(F)F)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
ESR2 Q92731 3/20 0.42
ESR1 P03372 2/20 0.42
SRD5A2 P31213 2/20 0.42
RXRA P19793 4/20 0.42
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 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
SCHEMBL2244777 0.94 RXRA (0.46) CA2CA12CA1CA3TYR
SCHEMBL2248329 0.88 ESR2 (0.53) ESR2ESR1ALDH1A1APPCYP2C9
SCHEMBL12893332 0.85 ESR2 (0.47) ESR2ESR1CYP2C9
SCHEMBL1256648 0.85 ESR2 (0.47) ESR2ESR1CYP2C9
SCHEMBL2246594 0.85 RXRA (0.39) DRD1SRD5A2RXRATP53TSHR
SCHEMBL2246402 0.84 RXRA (0.41) CA2CA12CA1CA7CA9
SCHEMBL2250158 0.84 CA1 (0.51) CA2CA12CA1CA7CA9
SCHEMBL1255425 0.82 ESR2 (0.47) ESR2ESR1
SCHEMBL14260542 0.82 ESR2 (0.47) ESR2ESR1
SCHEMBL2251874 0.81 AURKA (0.47) RXRATSHRALDH1A1PDE5AAPP

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-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 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-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 CA2 1288/4885CA12 1857/4885CA1 2428/4885

“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.