SCHEMBL4014388

SCHEMBL4014388

COC(=O)CCc1cc(C(=O)c2cc(Cl)c(Cl)cc2C(=O)O)c(O)c(-c2ccccc2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
FABP3 P05413 3/20 0.37
FABP4 P15090 3/20 0.37
ACLY P53396 4/20 0.36
PTPN1 P18031 3/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN6 P29350 1/20 0.34
FTO Q9C0B1 1/20 0.34

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
SCHEMBL4018764 0.89 KMT2A (0.40) MEN1ALDH1A1KMT2AFABP3FABP4
SCHEMBL4356056 0.84 L3MBTL1 (0.34) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL4012367 0.84 ACLY (0.35) ALDH1A1FABP3FABP4ACLYPTPN1
SCHEMBL4358116 0.82 L3MBTL1 (0.33) KDM4EMEN1ALDH1A1MAPTPKM
SCHEMBL4011696 0.79 KMT2A (0.41) MEN1ALDH1A1KMT2ACCNCCDK8
SCHEMBL4013828 0.78 POLB (0.37) ALDH1A1
SCHEMBL4359133 0.77 EGFR (0.36) MAPTAKR1C2AKR1C1
SCHEMBL4422459 0.77 L3MBTL1 (0.37) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL4018520 0.74 KMT2A (0.41) KDM4EMEN1ALDH1A1KMT2ACCNC
SCHEMBL2348285 0.73 PBRM1 (0.36) MEN1PKMKMT2A

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 14 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-7112684-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2006-09-26 US 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-20050176066-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-08-11 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 (4 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-20050176066-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB KDM4E 3500/4885MEN1 2876/4885ALDH1A1 218/4885
US-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS KDM4E 3913/4885MEN1 2365/4885ALDH1A1 445/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB KDM4E 3500/4885MEN1 2876/4885ALDH1A1 218/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB KDM4E 3500/4885MEN1 2876/4885ALDH1A1 218/4885

“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.