SCHEMBL21172805

SCHEMBL21172805

NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.75
BLM P54132 2/20 0.75
PMP22 Q01453 2/20 0.75
KDM4E B2RXH2 1/20 0.75
LMNA P02545 1/20 0.75
CHRM2 P08172 1/20 0.75
ADRA2A P08913 1/20 0.75
ALOX15 P16050 1/20 0.75
TSHR P16473 1/20 0.75
DRD1 P21728 1/20 0.75
SLC6A2 P23975 1/20 0.75
SLC6A4 P31645 1/20 0.75
CYP2C19 P33261 1/20 0.75
ADRA1A P35348 1/20 0.75
DRD3 P35462 1/20 0.75
SLC6A3 Q01959 1/20 0.75
HRH3 Q9Y5N1 1/20 0.75
EYA2 O00167 1/20 0.70
APP P05067 1/20 0.70
ACE P12821 1/20 0.70

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
SCHEMBL15499755 1.00 TDP1 (0.75) TDP1BLMPMP22KDM4ELMNA
SCHEMBL25935738 1.00 TDP1 (0.75) TDP1BLMPMP22KDM4ELMNA
SCHEMBL8537755 1.00 TDP1 (0.75) TDP1BLMPMP22KDM4ELMNA
SCHEMBL12798538 0.97 TDP1 (0.74) TDP1BLMPMP22KDM4ELMNA
SCHEMBL20906342 0.97 TDP1 (0.74) TDP1BLMPMP22KDM4ELMNA
SCHEMBL9157962 0.97 TDP1 (0.74) TDP1BLMPMP22KDM4ELMNA
SCHEMBL2359794 0.89 TDP1 (0.55) TDP1BLMPMP22KDM4ELMNA
SCHEMBL14462553 0.89 TDP1 (0.61) TDP1BLMPMP22KDM4ELMNA
Edetic Acid SCHEMBL21866728 0.87 TDP1 (0.82) TDP1BLMPMP22KDM4ELMNA
SCHEMBL3940285 0.87 TDP1 (0.55) TDP1BLMPMP22KDM4ELMNA

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
WO-2020023247-A1 IMAGING AGENTS FOR RADIOLABELING EXOGENOUS AND ENDOGENOUS ALBUMIN CENTURION BIOPHARMA CORPORATION (US) 2020-01-30 WO disclosed
US-20190216713-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 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-20190216713-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CD44, PCNA TDP1 4383/4885BLM 3229/4885PMP22 1797/4885

“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.