SCHEMBL9896020

SCHEMBL9896020

CSc1ccc(CC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.43
MTNR1B P49286 6/20 0.43
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
GPR119 Q8TDV5 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
BRD4 O60885 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
NQO2 P16083 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
RXRG P48443 1/20 0.33
GLA P06280 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CCNB2 O95067 1/20 0.33

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
SCHEMBL1921677 0.81 MCL1 (0.40) MTNR1AMTNR1BRXRARXRBALDH1A1
SCHEMBL24791847 0.80 MTNR1A (0.46) MTNR1AMTNR1BRXRARXRBNQO2
SCHEMBL9926560 0.79 MTNR1A (0.44) MTNR1AMTNR1BRXRARXRBALDH1A1
SCHEMBL2254145 0.79 MTNR1A (0.48) MTNR1AMTNR1BRXRARXRBALDH1A1
SCHEMBL1495870 0.75 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1KDM4ENR1H4
SCHEMBL12318344 0.74 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1L3MBTL1KMT2A
Nitrogen SCHEMBL28021202 0.72 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1L3MBTL1KMT2A
SCHEMBL20565266 0.72 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1L3MBTL1BRD4
SCHEMBL29536890 0.72 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1L3MBTL1BRD4
SCHEMBL12164519 0.71 ALDH1A1 (0.42) ALDH1A1POLBMCL1L3MBTL1KDM4E

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-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 MTNR1A 316/4885MTNR1B 259/4885RXRA 263/4885

“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.