SCHEMBL4359133

SCHEMBL4359133

COC(=O)CCc1c(O)c(Cl)cc(C(=O)c2cc(Cl)c(Cl)cc2C(=O)O)c1O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
AKR1C2 P52895 3/20 0.36
AKR1C1 Q04828 3/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
KAT2B Q92831 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4356056 0.82 L3MBTL1 (0.34) AKR1C2AKR1C1AKR1C4AKR1C3L3MBTL1
SCHEMBL4358116 0.81 L3MBTL1 (0.33) AKR1C2AKR1C1AKR1C4AKR1C3L3MBTL1
SCHEMBL4013828 0.79 POLB (0.37) L3MBTL1LMNAKAT2BPOLB
SCHEMBL4422459 0.77 L3MBTL1 (0.37) AKR1C2AKR1C1L3MBTL1LMNAKAT2B
SCHEMBL4014388 0.77 KDM4E (0.38) AKR1C2AKR1C1MAPT
SCHEMBL2475205 0.71 L3MBTL1 (0.39) EGFRTDP1L3MBTL1LMNAKAT2B
SCHEMBL3911318 0.70 L3MBTL1 (0.42) L3MBTL1LMNAKAT2BTSHRMAPT
SCHEMBL4011696 0.69 KMT2A (0.41) TDP1L3MBTL1LMNACYP2C9CYP11B1
SCHEMBL4021008 0.69 L3MBTL1 (0.41) EGFRSRCL3MBTL1LMNATSHR
SCHEMBL9579728 0.68 GAA (0.42) AKR1C2AKR1C1TDP1L3MBTL1LMNA

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 13 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
US-7601851-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-10-13 US disclosed
US-7601851-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-10-13 US 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

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 EGFR 3773/4885SRC 3651/4885AKR1C2 3903/4885
US-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS EGFR 3498/4885SRC 3620/4885AKR1C2 4358/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB EGFR 3773/4885SRC 3651/4885AKR1C2 3903/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB EGFR 3773/4885SRC 3651/4885AKR1C2 3903/4885

“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.