SCHEMBL4018764

SCHEMBL4018764

COC(=O)CCc1cc(C(=O)c2ccccc2C(=O)O)c(O)c(-c2ccccc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CDC25B P30305 4/20 0.38
PTPN1 P18031 3/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.37
HNF4A P41235 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36
LMNA P02545 3/20 0.36
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL4014388 0.89 KDM4E (0.38) KMT2AALDH1A1PTPN1CCNCCDK8
SCHEMBL4012367 0.86 ACLY (0.35) ALDH1A1PTPN1CCNCCDK8FABP3
SCHEMBL4018520 0.85 KMT2A (0.41) KMT2ACYP3A4CYP2C9ALDH1A1CDC25B
SCHEMBL4011696 0.85 KMT2A (0.41) KMT2ACYP3A4CYP2C9ALDH1A1CDC25B
SCHEMBL4012873 0.81 ALDH1A1 (0.52) KMT2ACYP3A4CYP2C9ALDH1A1CDC25B
SCHEMBL4018518 0.75 PTPN1 (0.40) KMT2AALDH1A1PTPN1CCNCCDK8
SCHEMBL2348285 0.74 PBRM1 (0.36) KMT2ACYP3A4CYP2C9MEN1L3MBTL1
SCHEMBL4243105 0.74 ALDH1A1 (0.57) CYP2C9ALDH1A1LMNAALOX15
SCHEMBL10138023 0.72 TSHR (0.37) KMT2ACYP3A4CYP2C9ALDH1A1MEN1
Phthalic Acid SCHEMBL28233805 0.72 ALDH1A1 (0.58) KMT2AALDH1A1MEN1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569516-B2 Compounds and methods for fluorescent labeling ELITECH HOLDING B.V. (NL) 2013-10-29 US disclosed
US-7601851-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-10-13 US disclosed
EP-1991705-A4 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES INC (US) 2009-07-01 EP disclosed
EP-1991705-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING Epoch Biosciences, Inc. (US) 2008-11-19 EP disclosed
EP-1466176-A4 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES INC (US) 2008-10-01 EP disclosed
WO-2007098336-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed
US-20060204990-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2006-09-14 US disclosed
US-20050277144-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-12-15 US disclosed
US-6972339-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-12-06 US disclosed
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2005-08-04 US disclosed
EP-1466176-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING Epoch Biosciences, Inc. (US) 2004-10-13 EP disclosed
WO-2003023357-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2003-03-20 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 (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-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS KMT2A 2900/4885CYP3A4 2396/4885CYP2C9 3500/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB KMT2A 2743/4885CYP3A4 2660/4885CYP2C9 3815/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB KMT2A 2743/4885CYP3A4 2660/4885CYP2C9 3815/4885

“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.