SCHEMBL3334639

SCHEMBL3334639

Cc1cc(C(=O)/C=C/c2ccc(OCC(=O)O)cc2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
BLM P54132 2/20 0.56
POLB P06746 1/20 0.56
GPR35 Q9HC97 1/20 0.56
MAOB P27338 7/20 0.53
ABCG2 Q9UNQ0 4/20 0.53
SNCA P37840 1/20 0.52
MAPT P10636 2/20 0.51
MAOA P21397 1/20 0.51
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
PGR P06401 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
HPGD P15428 1/20 0.50
CNR1 P21554 1/20 0.50

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
SCHEMBL3334646 1.00 KMT2A (0.67) KMT2AMEN1NPC1RAB9ABLM
SCHEMBL20181051 0.90 KMT2A (0.70) KMT2AMEN1NPC1RAB9ABLM
SCHEMBL386021 0.87 MEN1 (0.54) KMT2AMEN1POLBMAOB
SCHEMBL386022 0.87 MEN1 (0.54) KMT2AMEN1POLBMAOB
SCHEMBL20226168 0.87 KMT2A (0.65) KMT2AMEN1NPC1RAB9ABLM
SCHEMBL11459733 0.84 KMT2A (0.75) KMT2AMEN1NPC1RAB9ABLM
SCHEMBL11459734 0.84 KMT2A (0.75) KMT2AMEN1NPC1RAB9ABLM
SCHEMBL25194458 0.83 MAOB (0.75) KMT2AMEN1NPC1RAB9ABLM
SCHEMBL11452903 0.83 MAOB (0.75) KMT2AMEN1NPC1RAB9ABLM
SCHEMBL11452904 0.83 MAOB (0.75) KMT2AMEN1NPC1RAB9ABLM

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 8 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-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2074103-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 WO 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-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 KMT2A 1421/4885MEN1 3946/4885NPC1 2501/4885

“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.