SCHEMBL6883647

SCHEMBL6883647

CCN(CCC(C)C)c1cccc(C(=O)c2ccccc2C(=O)O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 3/20 0.43
GAA P10253 2/20 0.43
CDC25B P30305 2/20 0.38
HSD17B10 Q99714 2/20 0.36
AKR1C3 P42330 2/20 0.36
PRNP P04156 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MYC P01106 2/20 0.35
NR4A1 P22736 1/20 0.35
ALOX15 P16050 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
SCHEMBL6873425 0.90 KMT2A (0.51) KMT2ASMN1; SMN2MEN1L3MBTL1CYP3A4
SCHEMBL473766 0.87 KMT2A (0.58) KMT2ASMN1; SMN2MEN1L3MBTL1CYP3A4
SCHEMBL31268624 0.87 KMT2A (0.58) KMT2ASMN1; SMN2MEN1L3MBTL1CYP3A4
SCHEMBL1451327 0.80 ALDH1A1 (0.62) KMT2ASMN1; SMN2MEN1L3MBTL1CYP3A4
SCHEMBL6881754 0.79 KMT2A (0.77) KMT2ASMN1; SMN2MEN1L3MBTL1CYP3A4
SCHEMBL32689450 0.79 KMT2A (0.77) KMT2ASMN1; SMN2MEN1L3MBTL1CYP3A4
SCHEMBL28803703 0.78 KMT2A (0.60) KMT2ASMN1; SMN2MEN1L3MBTL1CYP3A4
SCHEMBL31339541 0.77 ALDH1A1 (0.52) KMT2ASMN1; SMN2MEN1L3MBTL1CYP3A4
SCHEMBL11308650 0.77 ALDH1A1 (0.52) KMT2ASMN1; SMN2MEN1L3MBTL1CYP3A4
SCHEMBL6882183 0.76 KMT2A (0.54) KMT2ASMN1; SMN2MEN1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242891-A1 Production of keto acids CAMPBELL JONATHAN (GB) 2004-12-02 US disclosed
EP-1442009-A1 PRODUCTION OF KETO ACIDS Ciba SC Holding AG (CH) 2004-08-04 EP disclosed
WO-2003037846-A1 PRODUCTION OF KETO ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 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-20040242891-A1 Production of keto acids PKLR, KHK, ME1 KMT2A 552/4885SMN1; SMN2 3961/4885MEN1 1763/4885

“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.