SCHEMBL6880258

SCHEMBL6880258

CCN(c1ccc(C)cc1)c1cccc(C(=O)c2ccccc2C(=O)O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AKR1C3 P42330 2/20 0.48
ALDH1A1 P00352 6/20 0.44
POLB P06746 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
CDC25B P30305 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
LTC4S Q16873 1/20 0.36

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
SCHEMBL10748406 0.80 KMT2A (0.70) KMT2ACYP3A4CYP2C9MEN1SMN1; SMN2
SCHEMBL473766 0.80 KMT2A (0.58) KMT2ACYP3A4CYP2C9MEN1SMN1; SMN2
SCHEMBL31268624 0.80 KMT2A (0.58) KMT2ACYP3A4CYP2C9MEN1SMN1; SMN2
SCHEMBL10764840 0.77 AKR1C3 (0.55) KMT2AMEN1SMN1; SMN2L3MBTL1AKR1C3
SCHEMBL10749408 0.77 SMN1; SMN2 (0.52) KMT2AMEN1SMN1; SMN2L3MBTL1AKR1C3
SCHEMBL10764847 0.77 KMT2A (0.58) KMT2ACYP3A4CYP2C9MEN1SMN1; SMN2
SCHEMBL6883346 0.75 KMT2A (0.63) KMT2ACYP3A4CYP2C9MEN1SMN1; SMN2
SCHEMBL8638626 0.74 LMNA (0.50) KMT2ACYP3A4CYP2C9MEN1SMN1; SMN2
SCHEMBL6882183 0.74 KMT2A (0.54) KMT2ACYP3A4CYP2C9MEN1SMN1; SMN2
SCHEMBL6873425 0.73 KMT2A (0.51) KMT2ACYP3A4CYP2C9MEN1SMN1; SMN2

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 6 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
EP-0107780-B1 FLUORAN COMPOUNDS HODOGAYA CHEMICAL CO., LTD. (JP) 1987-11-04 EP disclosed
US-4594601-A Fluoran compounds HODOGAYA CHEMICAL CO., LTD. (JP) 1986-06-10 US disclosed
EP-0107780-A2 Fluoran compounds HODOGAYA CHEMICAL CO., LTD. (JP) 1984-05-09 EP 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.