SCHEMBL4012873

SCHEMBL4012873

COC(=O)CCc1cc(C(=O)c2ccccc2C(=O)O)c(O)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
CDC25B P30305 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 4/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
TBXA2R P21731 1/20 0.39

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
SCHEMBL4420539 0.91 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL4018520 0.84 KMT2A (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL4013828 0.84 POLB (0.37) ALDH1A1L3MBTL1POLBLMNA
SCHEMBL4011696 0.81 KMT2A (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL4017470 0.81 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL4018764 0.81 KMT2A (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL9417833 0.81 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL9416266 0.81 POLB (0.45) ALDH1A1KMT2APOLBLMNAMAPT
SCHEMBL14056584 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL4243105 0.77 ALDH1A1 (0.57) ALDH1A1KDM4ECYP2C9LMNAHPGD

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 17 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-8569516-B2 Compounds and methods for fluorescent labeling ELITECH HOLDING B.V. (NL) 2013-10-29 US disclosed
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
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 ALDH1A1 218/4885KMT2A 2743/4885MEN1 2876/4885
US-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS ALDH1A1 445/4885KMT2A 2900/4885MEN1 2365/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB ALDH1A1 218/4885KMT2A 2743/4885MEN1 2876/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB ALDH1A1 218/4885KMT2A 2743/4885MEN1 2876/4885

“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.