SCHEMBL2983109

SCHEMBL2983109

CN(C)[C@@](N)(CCC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 3/20 0.50
ALDH1A1 P00352 2/20 0.50
THRB P10828 2/20 0.50
MEN1 O00255 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.39
PHF8 Q9UPP1 3/20 0.35
KDM2A Q9Y2K7 3/20 0.35
EGLN1 Q9GZT9 2/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34
LMNA P02545 5/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
FFAR3 O14843 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 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
Palmitic Acid SCHEMBL20786788 0.79 GPR84 (0.55) KMT2ACYP1A2ALDH1A1MEN1LMNA
Ammonia Solution, Strong SCHEMBL27815682 0.78 MEN1 (0.36) KMT2ACYP1A2ALDH1A1THRBMEN1
SCHEMBL27906618 0.77 TSHR (0.42) KMT2ACYP1A2ALDH1A1THRBMEN1
SCHEMBL10466428 0.75 MEN1 (0.40) KMT2ACYP1A2ALDH1A1THRBMEN1
SCHEMBL123829 0.73 KMT2A (0.52) KMT2ACYP1A2ALDH1A1THRBMEN1
SCHEMBL9214864 0.73 NR4A2 (0.40) KMT2ACYP1A2ALDH1A1THRBMEN1
SCHEMBL23576186 0.71 NAALAD2 (0.45) KMT2ACYP1A2ALDH1A1THRBMEN1
SCHEMBL10755089 0.71 ALDH1A1 (0.47) KMT2ACYP1A2ALDH1A1THRBMEN1
SCHEMBL10755092 0.71 ALDH1A1 (0.47) KMT2ACYP1A2ALDH1A1THRBMEN1
SCHEMBL473835 0.70 ALDH1A1 (0.56) KMT2ACYP1A2ALDH1A1THRBMEN1

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-7781391-B2 Amine/amide-functionalized lipophiles CRODA, INC. (US) 2010-08-24 US disclosed
US-20070238896-A1 Amine/amide-functionalized lipophiles CRODA, INC. (US) 2007-10-11 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-20070238896-A1 Amine/amide-functionalized lipophiles TYR, LPO, CUTA KMT2A 507/4885CYP1A2 756/4885ALDH1A1 150/4885

“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.