SCHEMBL30764064

SCHEMBL30764064

O=C(O)/C=C/C(=O)N(CCc1ccccc1)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MAPT P10636 2/20 0.54
TAAR1 Q96RJ0 3/20 0.53
ALDH1A1 P00352 3/20 0.51
HCAR2 Q8TDS4 2/20 0.51
ALOX5 P09917 2/20 0.47
LMNA P02545 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL4022324 0.83 MAPT (0.71) TDP1NPC1RAB9AMAPTALDH1A1
SCHEMBL4022321 0.83 MAPT (0.71) TDP1NPC1RAB9AMAPTALDH1A1
SCHEMBL12172749 0.83 MAPT (0.71) TDP1NPC1RAB9AMAPTALDH1A1
SCHEMBL4020786 0.83 LTB4R (0.57) KMT2ANPC1RAB9ATAAR1ALDH1A1
SCHEMBL4020778 0.83 LTB4R (0.57) KMT2ANPC1RAB9ATAAR1ALDH1A1
Maleic Acid SCHEMBL4301221 0.80 ALDH1A1 (0.66) KMT2ATDP1TAAR1ALDH1A1HCAR2
SCHEMBL1629317 0.80 TDP1 (0.56) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL5933377 0.77 TDP1 (0.66) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL15779268 0.77 MAPT (0.63) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL15779266 0.77 MAPT (0.63) KMT2ATDP1MEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912831-B2 Hydroxyethylpyrrolidone ethacrylate/glycidyl ethacrylate copolymers ISP INVESTMENTS LLC (US) 2024-02-27 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-11912831-B2 Hydroxyethylpyrrolidone ethacrylate/glycidyl ethacrylate copolymers MMAB, PCNA, HMBS KMT2A 1105/4885TDP1 1797/4885MEN1 1454/4885

“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.