SCHEMBL4200464

SCHEMBL4200464

CC(C)C(=O)O[CH]c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.40
MIF P14174 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
AKR1C3 P42330 1/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL27665248 0.81 TDP1 (0.46) ELANEHTTTDP1GLAALDH1A1
SCHEMBL14504434 0.81 TDP1 (0.46) ELANEHTTTDP1GLAALDH1A1
SCHEMBL2907648 0.78 KMT2A (0.44) KMT2AHTTTDP1AKR1C3GLA
SCHEMBL2908043 0.77 TSHR (0.44) HTTTDP1AKR1C3GLAALDH1A1
SCHEMBL87638 0.77 TDP1 (0.48) ELANEKMT2AMEN1HTTTDP1
SCHEMBL2907535 0.77 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL2906150 0.76 MIF (0.43) KMT2AMEN1HTTMIFTDP1
SCHEMBL2900868 0.73 MEN1 (0.56) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL27834761 0.72 MAPT (0.43) HTTTDP1AKR1C3GLAALDH1A1
SCHEMBL2903284 0.72 MEN1 (0.46) ELANEKMT2AMEN1TDP1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
CN-100415725-C Pyrimidine compound and application thereof SUMITOMO CHEMICAL CO (JP) 2008-09-03 CN disclosed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040235761-A1 Novel virus proliferaton inhibition/virucidal method and novel pyradine nucleotide/pyradine nucleoside analogue TOYAMA CHEMICAL CO., LTD. (JP) 2004-11-25 US disclosed
EP-1417967-A1 NOVEL VIRUS PROLIFERATION INHIBITION/VIRUCIDAL METHOD AND NOVEL PYRADINE NUCLEOTIDE/PYRADINE NUCLEOSIDE ANALOGUE TOYAMA CHEMICAL CO., LTD. (JP) 2004-05-12 EP disclosed
CN-1478082-A Pyrimidine compound and application thereof ס�ѻ�ѧ��ҵ��ʽ���� 2004-02-25 CN 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 (3 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS ELANE 4688/4885KMT2A 2406/4885MEN1 2555/4885
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 ELANE 4148/4885KMT2A 4109/4885MEN1 1102/4885
US-20040235761-A1 Novel virus proliferaton inhibition/virucidal method and novel pyradine nucleotide/pyradine nucleoside analogue CDK5, NT5C3B, CDK15 ELANE 4405/4885KMT2A 1499/4885MEN1 2916/4885

“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.