SCHEMBL5608205

SCHEMBL5608205

c1ccc(N(CCN(CC2CO2)c2ccccc2)CC2CO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
KDM4E B2RXH2 1/20 0.37
USP2 O75604 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL36896 0.92 LMNA (0.54) LMNAALDH1A1POLBL3MBTL1TDP1
SCHEMBL21899454 0.88 LMNA (0.51) LMNAALDH1A1POLBL3MBTL1TDP1
SCHEMBL22946750 0.85 LMNA (0.43) LMNAALDH1A1POLBL3MBTL1TDP1
SCHEMBL1060074 0.85 TAAR1 (0.55) LMNAALDH1A1POLBL3MBTL1TDP1
SCHEMBL13399056 0.83 LMNA (0.47) LMNAALDH1A1POLBL3MBTL1TDP1
SCHEMBL11011561 0.82 TDP1 (0.49) LMNAALDH1A1POLBL3MBTL1TDP1
SCHEMBL9480396 0.81 LMNA (0.45) LMNAALDH1A1POLBL3MBTL1TDP1
SCHEMBL132721 0.81 MEN1 (0.43) LMNAALDH1A1POLBL3MBTL1TDP1
SCHEMBL20029979 0.80 LMNA (0.45) LMNAALDH1A1POLBL3MBTL1TDP1
SCHEMBL9866782 0.79 ALDH1A1 (0.54) LMNAALDH1A1POLBL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288264-B1 Contact-killing antimicrobial devices SURFACINE DEVELOPMENT COMPANY, L.L.C. (US) 2007-10-30 US disclosed
US-20060147549-A1 Methods and compositions for reducing population of plant pathogen ECOLAB USA INC. 2006-07-06 US disclosed
US-6264936-B1 CATIONIC POLYMER BIOPOLYMERIX, INC. (GB) 2001-07-24 US disclosed
US-6126931-A COMBINATION OF AN ORGANIC MATRIX HAVING BIOCIDAL METALLIC MATERIALS NON-LEACHABLY ASSOCIATED WITH THE MATRIX. SURFACINE DEVELOPMENT COMPANY, LLC (US) 2000-10-03 US disclosed
US-5849311-A Contact-killing non-leaching antimicrobial materials BIOPOLYMERIX, INC. (GB) 1998-12-15 US disclosed
US-5817325-A IMMOBILIZED CATIONIC BIGUANIDE POLYMER MATRIX, METAL OR METAL COMPOUND BIOPOLYMERIX, INC. (GB) 1998-10-06 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-20060147549-A1 Methods and compositions for reducing population of plant pathogen IPMK, GMDS, PUF60 LMNA 3654/4885ALDH1A1 3388/4885POLB 1198/4885

“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.