SCHEMBL4753952

SCHEMBL4753952

NC1(N)CCC1(C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.42
FFAR3 O14843 1/20 0.35
GRM4 Q14833 7/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
GRM8 O00222 3/20 0.33
GRM6 O15303 3/20 0.33
GRM2 Q14416 3/20 0.33
GRM3 Q14832 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GRM5 P41594 1/20 0.33
MTOR P42345 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
SCHEMBL27709210 0.97 NSD2 (0.40) NSD2FFAR3GRM4CYP1A2CYP2C19
SCHEMBL7217948 0.95 NSD2 (0.39) NSD2FFAR3GRM4CYP1A2CYP2C19
SCHEMBL27387014 0.83 NSD2 (0.39) NSD2FFAR3GRM4CYP1A2CYP2C19
SCHEMBL28254635 0.83 NSD2 (0.39) NSD2FFAR3GRM4CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL3142298 0.77 FFAR3 (0.44) NSD2FFAR3CYP2C19LMNA
SCHEMBL204371 0.77 FFAR3 (0.44) NSD2FFAR3CYP2C19LMNA
Hydrochloric Acid SCHEMBL628949 0.77 FFAR3 (0.44) NSD2FFAR3CYP2C19LMNA
SCHEMBL4312696 0.72
1-Aminocyclopropane Carboxylic Acid SCHEMBL1320265 0.69
SCHEMBL7159924 0.67 NSD2 (0.34) NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354512-B2 Ligand and metal complex NATIONAL CHIAO TUNG UNIVERSITY (TW) 2013-01-15 US disclosed
US-20110065905-A1 Ligand and metal complex NATIONAL CHIAO TUNG UNIVERSITY (TW) 2011-03-17 US disclosed
CN-101385705-A Preparation method of aqueouse solution agent of minoplatin and other platinum complexes QIANHUAN DAI (CN) 2009-03-18 CN disclosed
WO-2008144616-A1 LIPID RAFT, CAVEOLIN PROTEIN, AND CAVEOLAR FUNCTION MODULATION COMPOUNDS AND ASSOCIATED SYNTHETIC AND THERAPEUTIC METHODS KAY HEIDI (US) 2008-11-27 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-20110065905-A1 Ligand and metal complex CD74, SLC39A14, PYM1 NSD2 3731/4885FFAR3 2743/4885GRM4 207/4885

“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.