SCHEMBL13733769

SCHEMBL13733769

CCOC(=O)c1cc(C(C)(C)O)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.46
THRB P10828 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44
PDE4D Q08499 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40

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
SCHEMBL26140969 0.89 ALDH1A1 (0.40) KMT2ANPSR1L3MBTL1POLBTHRB
SCHEMBL3955624 0.89 KMT2A (0.48) KMT2ANPSR1L3MBTL1POLBTHRB
SCHEMBL4002119 0.89 KMT2A (0.50) KMT2ANPSR1L3MBTL1POLBTHRB
SCHEMBL14955814 0.84 KMT2A (0.49) KMT2ANPSR1L3MBTL1POLBTHRB
SCHEMBL1665229 0.78 DAO (0.58) KMT2ANPSR1L3MBTL1POLBTHRB
SCHEMBL3390732 0.77 KMT2A (0.48) KMT2ANPSR1L3MBTL1POLBTHRB
SCHEMBL1007015 0.77 MAPK1 (0.61) KMT2ANPSR1L3MBTL1POLBTHRB
SCHEMBL1423671 0.77 KMT2A (0.54) KMT2ANPSR1L3MBTL1POLBTHRB
SCHEMBL163302 0.77 KMT2A (0.54) KMT2ANPSR1L3MBTL1POLBTHRB
SCHEMBL5600122 0.76 HCAR2 (0.55)

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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
EP-2699561-B1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORP (FI) 2015-06-03 EP disclosed
US-8921378-B2 Androgen receptor modulating carboxamides ORION CORPORATION (FI) 2014-12-30 US disclosed
EP-2699561-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES Orion Corporation (FI) 2014-02-26 EP disclosed
WO-2012143599-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORPORATION (FI) 2012-10-26 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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 KMT2A 2565/4885NPSR1 134/4885L3MBTL1 4798/4885

“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.