SCHEMBL6097168

SCHEMBL6097168

C=CCC1(C(=O)O)CCN(C(=O)O)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TET3 O43151 2/20 0.33
KMT2A Q03164 2/20 0.33
FBXL19 Q6PCT2 2/20 0.33
CXXC5 Q7LFL8 2/20 0.33
KDM2B Q8NHM5 2/20 0.33
CXXC4 Q9H2H0 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
TET1 Q8NFU7 1/20 0.33

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
SCHEMBL22440476 0.80 OPRM1 (0.32)
SCHEMBL5767608 0.78
SCHEMBL9254411 0.72 MEN1 (0.33) KMT2A
SCHEMBL10818983 0.71 MEN1 (0.35) KMT2A
SCHEMBL29281624 0.71 MEN1 (0.35) KMT2A
SCHEMBL21359816 0.71 KMT2A (0.33) KMT2A
SCHEMBL10817404 0.70 MEN1 (0.38) KMT2A
SCHEMBL17763731 0.69 TET3 (0.30) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL1847022 0.69 CRBN (0.34)
SCHEMBL18446067 0.68 TET3 (0.32) TET3KMT2AFBXL19CXXC5KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105507-B2 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 US 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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A TET3 4276/4885KMT2A 2954/4885FBXL19 2557/4885

“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.