SCHEMBL4900653

SCHEMBL4900653

CN(C)C(=O)n1ccc(C(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 5/20 0.33
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 4/20 0.33
POLB P06746 4/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
NR4A1 P22736 3/20 0.33
USP2 O75604 2/20 0.33
GAA P10253 2/20 0.33
RECQL P46063 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
APEX1 P27695 2/20 0.33
DAO P14920 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
SCHEMBL9792752 0.79 ALDH1A1 (0.41) BCHETP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL22290905 0.78 TSHR (0.40) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL9309968 0.77 TSHR (0.43) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3543689 0.74 TSHR (0.40) TSHRTP53ALDH1A1SMN1; SMN2POLB
SCHEMBL22306663 0.71 TSHR (0.37) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL23731961 0.70 TAS2R14 (0.35) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL21408507 0.69 MAOA (0.38) TSHRTP53ALDH1A1ALOX15DAO
SCHEMBL19638080 0.69 GPR119 (0.38) BCHETSHRALDH1A1KMT2AKDM4E
SCHEMBL369526 0.69
SCHEMBL15559838 0.68 TSHR (0.39) TSHRTP53ALDH1A1SMN1; SMN2KMT2A

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-20080233410-A1 Transition metal complex compound IDEMITSU KOSAN CO., LTD. (JP) 2008-09-25 US disclosed
US-20070141397-A1 TRANSITION METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 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-20080233410-A1 Transition metal complex compound EMC2, INTS9, LEF1 BCHE 2433/4885TSHR 4526/4885TP53 4641/4885

“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.