SCHEMBL386022

SCHEMBL386022

Cc1cc(C(=O)C=Cc2cccc(OCC(=O)O)c2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYSLTR2 Q9NS75 3/20 0.53
CYSLTR1 Q9Y271 2/20 0.53
MAOB P27338 2/20 0.51
BCHE P06276 2/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
P4HB P07237 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL386021 1.00 MEN1 (0.54) MEN1KMT2ACYSLTR2CYSLTR1MAOB
SCHEMBL3334646 0.87 KMT2A (0.67) MEN1KMT2AMAOBPOLB
SCHEMBL3334639 0.87 KMT2A (0.67) MEN1KMT2AMAOBPOLB
SCHEMBL11452485 0.84 KMT2A (0.65) MEN1KMT2ACYSLTR2MAOBBCHE
SCHEMBL30383113 0.84 KMT2A (0.65) MEN1KMT2ACYSLTR2MAOBBCHE
SCHEMBL11452481 0.84 KMT2A (0.65) MEN1KMT2ACYSLTR2MAOBBCHE
SCHEMBL25223392 0.80 MAOB (0.76) MEN1KMT2AMAOBBCHEALDH1A1
SCHEMBL30383304 0.80 MAOB (0.76) MEN1KMT2AMAOBBCHEALDH1A1
SCHEMBL11460533 0.80 MAOB (0.76) MEN1KMT2AMAOBBCHEALDH1A1
SCHEMBL10165676 0.80 CYP1B1 (0.64) MEN1KMT2AMAOBBCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 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 (2 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-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 MEN1 3946/4885KMT2A 1421/4885CYSLTR2 4009/4885
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 MEN1 4294/4885KMT2A 686/4885CYSLTR2 613/4885

“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.