SCHEMBL6530072

SCHEMBL6530072

C=CC(N)/C=C(\C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
FGFR4 P22455 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
BLM P54132 2/20 0.30
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
PMP22 Q01453 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL531565 1.00 ALDH1A1 (0.38) ALDH1A1TSHRFGFR4TDP1BLM
Hydrochloric Acid SCHEMBL6419361 0.98 ALDH1A1 (0.36) ALDH1A1TSHRFGFR4TDP1
SCHEMBL45578 0.82 TSHR (0.34) ALDH1A1TSHRFGFR4BLMSLC6A2
SCHEMBL30215 0.77 TDP1 (0.36) ALDH1A1TSHRFGFR4TDP1BLM
SCHEMBL27631768 0.77 TDP1 (0.36) ALDH1A1TSHRFGFR4TDP1BLM
SCHEMBL5708939 0.76 TDP1 (0.35) ALDH1A1TSHRFGFR4TDP1
SCHEMBL1345206 0.73
SCHEMBL4347745 0.73
SCHEMBL3947305 0.72 TDP1 (0.32) TDP1
Acrylic Acid SCHEMBL28100071 0.72 LMNA (0.40) ALDH1A1TSHRFGFR4TDP1LMNA

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
WO-2005089106-A2 DEGRADABLE NANOPARTICLES MOLECULAR THERAPEUTICS, INC. (US) 2005-09-29 WO claimed
US-20050196343-A1 Polyacrylamide backbone; drug delivery, imaging, diagnosis; easily eliminated by body MOLECULAR THERAPEUTICS, INC. (US) 2005-09-08 US claimed
WO-2005089106-A2 DEGRADABLE NANOPARTICLES MOLECULAR THERAPEUTICS, INC. (US) 2005-09-29 WO disclosed
US-20050196343-A1 Polyacrylamide backbone; drug delivery, imaging, diagnosis; easily eliminated by body MOLECULAR THERAPEUTICS, INC. (US) 2005-09-08 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-20050196343-A1 Polyacrylamide backbone; drug delivery, imaging, diagnosis; easily eliminated by body ECPAS, ACTB, SERPINB10 ALDH1A1 1098/4885TSHR 3798/4885FGFR4 4054/4885

“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.