SCHEMBL6882183

SCHEMBL6882183

CCCN(C)c1cccc(C(=O)c2ccccc2C(=O)O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
CDC25B P30305 2/20 0.42
AKR1C3 P42330 2/20 0.40
GLA P06280 1/20 0.40
PRNP P04156 1/20 0.39
ALOX15 P16050 1/20 0.39
HCAR3 P49019 2/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL1451327 0.82 ALDH1A1 (0.62) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL6883346 0.82 KMT2A (0.63) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL473766 0.81 KMT2A (0.58) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL31268624 0.81 KMT2A (0.58) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL9629674 0.76 ALDH1A1 (0.71) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL6883647 0.76 KMT2A (0.49) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL6873425 0.75 KMT2A (0.51) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL18928220 0.74 KMT2A (0.65) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL6880258 0.74 KMT2A (0.52) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
Phthalic Acid SCHEMBL6320551 0.73 ALDH1A1 (0.56) KMT2AALDH1A1KDM4EGAAPOLB

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 552/4885CYP3A4 625/4885CYP2C9 435/4885

“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.