SCHEMBL4420539

SCHEMBL4420539

COC(=O)CCCCc1cc(C(=O)c2ccccc2C(=O)O)c(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CNR2 P34972 2/20 0.40
LMNA P02545 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
CNR1 P21554 1/20 0.38
CDC25B P30305 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
RECQL P46063 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL4012873 0.91 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL14056584 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL14315757 0.78 L3MBTL1 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL9417833 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
Phthalic Acid SCHEMBL28200670 0.77 TSHR (0.56) ALDH1A1KMT2AMEN1KDM4ECNR2
SCHEMBL27447596 0.77 ALDH1A1 (0.47) ALDH1A1POLBLMNALTB4RCYP4F2
SCHEMBL4018520 0.76 KMT2A (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL4013828 0.76 POLB (0.37) ALDH1A1L3MBTL1POLBLMNA
SCHEMBL14055676 0.74 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL4011696 0.74 KMT2A (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541454-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-06-02 US disclosed
US-7541454-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-06-02 US disclosed
US-7541454-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-06-02 US disclosed
US-20050159606-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-07-21 US disclosed
WO-2005040357-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2005-05-06 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 (1 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-20050159606-A1 Compounds and methods for fluorescent labeling TFEB, HLCS, PFAS ALDH1A1 514/4885KMT2A 3222/4885MEN1 1387/4885

“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.