SCHEMBL4015231

SCHEMBL4015231

COc1ccc(C=CC(=O)O)c(OC)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.50
NFE2L2 Q16236 4/20 0.49
KDM4E B2RXH2 4/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HTR1A P08908 1/20 0.48
HTR2C P28335 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
TFEB P19484 1/20 0.45
CYP1A1 P04798 2/20 0.45
CYP1A2 P05177 2/20 0.45

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
SCHEMBL4015228 1.00 ABCG2 (0.50) ABCG2NFE2L2KDM4EGAAALDH1A1
SCHEMBL6768410 0.82 KDM4E (0.61) NFE2L2KDM4EGAASMN1; SMN2NPC1
SCHEMBL6768413 0.82 KDM4E (0.61) NFE2L2KDM4EGAASMN1; SMN2NPC1
SCHEMBL285232 0.82 ABCG2 (0.71) ABCG2NFE2L2KDM4EALDH1A1HPGD
SCHEMBL285231 0.82 ABCG2 (0.71) ABCG2NFE2L2KDM4EALDH1A1HPGD
SCHEMBL30560976 0.82 ABCG2 (0.71) ABCG2NFE2L2KDM4EALDH1A1HPGD
SCHEMBL5320426 0.81 CA1 (0.50) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL4015282 0.80 CA1 (0.45) KDM4EALDH1A1MAPTFABP3FABP4
Hydrochloric Acid SCHEMBL4665597 0.80 ABCG2 (0.69) ABCG2NFE2L2KDM4EALDH1A1HPGD
SCHEMBL6852630 0.79 ABCG2 (0.57) ABCG2NFE2L2KDM4EGAAALDH1A1

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 ABCG2 143/4885NFE2L2 3577/4885KDM4E 3500/4885
US-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS ABCG2 43/4885NFE2L2 3942/4885KDM4E 3913/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB ABCG2 143/4885NFE2L2 3577/4885KDM4E 3500/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB ABCG2 143/4885NFE2L2 3577/4885KDM4E 3500/4885

“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.