SCHEMBL2246402

SCHEMBL2246402

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2250158 0.90 CA1 (0.51) ALDH1A1TSHRCA1CA2TDP1
SCHEMBL2244777 0.89 RXRA (0.46) RXRAALDH1A1TSHRCA1CA2
SCHEMBL2244057 0.86 STS (0.44) ALDH1A1CA1CA2SMN1; SMN2RAB9A
SCHEMBL2248696 0.84 CA2 (0.46) RXRAALDH1A1TSHRCA1CA2
SCHEMBL2250878 0.83 P2RY6 (0.39) ALDH1A1TSHRCA1CA2TDP1
SCHEMBL2247348 0.82 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2251874 0.81 AURKA (0.47) RXRAALDH1A1TSHRCYP2C9
SCHEMBL2246594 0.81 RXRA (0.39) RXRATSHRCYP2C9CYP3A4
SCHEMBL2247705 0.79 HPGD (0.40) ALDH1A1CA1CA2CA12CA7
SCHEMBL2248484 0.79 CNR2 (0.34) ALDH1A1CA1CA2CA12CA7

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 RXRA 290/4885ALDH1A1 4625/4885TSHR 88/4885

“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.