SCHEMBL13296552

SCHEMBL13296552

CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2O)c2ccc(N(CC)CC)cc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.47
MAPT P10636 7/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
TSHR P16473 2/20 0.45
GRK6 P43250 2/20 0.43
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.42
CNR2 P34972 3/20 0.42
GAA P10253 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL15488871 0.93 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL11583222 0.89 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL18022811 0.85 MAPT (0.50) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL658351 0.81 S100B (0.51) ALDH1A1MAPTKMT2ALMNATDP1
SCHEMBL10153005 0.81 LMNA (0.50) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL15488872 0.80 MAPT (0.45) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL5554863 0.80 S100B (0.46) ALDH1A1MAPTKMT2ALMNATDP1
SCHEMBL2501544 0.79 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL10952039 0.79 S100B (0.53) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL656825 0.78 S100B (0.51) ALDH1A1MAPTKMT2AMEN1LMNA

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
EP-4327874-A2 3,6-DISUBSTITUTED XANTHYLIUM SALTS WisTa Laboratories Ltd. (SG) 2024-02-28 EP disclosed
EP-3689346-B1 3,6-DISUBSTITUTED XANTHYLIUM SALTS FOR TREATING TAUOPATHIES WISTA LAB LTD (SG) 2024-01-24 EP disclosed
US-10399955-B2 3,6-disubstituted xanthylium salts WISTA LABORATORIES LTD. (SG) 2019-09-03 US disclosed
US-20170088534-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WISTA LABORATORIES LTD. (SG) 2017-03-30 US disclosed
EP-2373660-B1 3,6-DISUBSTITUTED XANTHYLIUM SALTS AS MEDICAMENTS WISTA LAB LTD (SG) 2016-08-17 EP disclosed
WO-2010067078-A2 3,6-DISUBSTITUTED XANTHYLIUM SALTS AS MEDICAMENTS WISTA LABORATORIES LTD. (SG) 2010-06-17 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 (2 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-10399955-B2 3,6-disubstituted xanthylium salts MAPT, PSEN2, PSEN1 ALDH1A1 4669/4885MAPT 1/4885KMT2A 3851/4885
US-20170088534-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS MAPT, PSEN2, PSEN1 ALDH1A1 4669/4885MAPT 1/4885KMT2A 3851/4885

“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.