SCHEMBL6650508

SCHEMBL6650508

CC12CC3CC(C)(C1)CC(C(C(=O)O)C(=O)C(=O)O)(C3)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
LMNA P02545 2/20 0.36
SLC22A1 O15245 1/20 0.36
ESR1 P03372 1/20 0.36
ADRB3 P13945 1/20 0.36
ACHE P22303 1/20 0.36
OPRK1 P41145 1/20 0.36
MTOR P42345 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL12858653 0.76 GRIN1 (0.40) MEN1KMT2AGRIN1GRIN2AGRIN2D
SCHEMBL6651615 0.74 ALDH1A1 (0.39) MEN1KMT2ACYP2C9NPSR1MAPT
SCHEMBL14696213 0.73 EPHX2 (0.39) MEN1KMT2AGRIN1GRIN2AGRIN2D
SCHEMBL6653279 0.73 MEN1 (0.37) MEN1KMT2AGRIN1GRIN2AGRIN2D
SCHEMBL6648644 0.72 GRIN1 (0.34) MEN1KMT2AGRIN1GRIN2AGRIN2D
SCHEMBL6649780 0.72
SCHEMBL21747113 0.68 KMT2A (0.35) MEN1KMT2AEPHX2HDAC1
SCHEMBL8301698 0.68 KMT2A (0.35) MEN1KMT2AEPHX2HDAC1
SCHEMBL812216 0.66 GRIN1 (0.68) MEN1KMT2AGRIN1GRIN2AGRIN2D
Memantine SCHEMBL25224843 0.66 GRIN1 (0.76) MEN1KMT2AGRIN1GRIN2AGRIN2D

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-6489504-B2 Malic acid and oxalacetic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-03 US claimed
EP-1132369-B1 Malic acid and oxalacetic acid derivatives DAICEL CHEM (JP) 2004-06-09 EP disclosed
US-6489504-B2 Malic acid and oxalacetic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-03 US disclosed
US-20010056120-A1 Malic acid and oxalacetic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-27 US disclosed
EP-1132369-A1 Malic acid and oxalacetic acid derivatives Daicel Chemical Industries, Ltd. (JP) 2001-09-12 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-20010056120-A1 Malic acid and oxalacetic acid derivatives ME1, ME3, MLYCD MEN1 2079/4885KMT2A 1847/4885GRIN1 1077/4885

“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.