SCHEMBL20176812

SCHEMBL20176812

COC(=O)/C(=C/c1ccco1)C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
TDP1 Q9NUW8 4/20 0.54
POLB P06746 3/20 0.54
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.42
MASP2 O00187 1/20 0.41
F2 P00734 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9401911 1.00 MAPT (0.61) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL9401906 1.00 MAPT (0.61) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL20163171 0.92 MAPT (0.67) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL9316158 0.86 MAPT (0.63) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL17439333 0.83 MAPT (0.56) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL17439335 0.83 MAPT (0.56) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL10377521 0.83 TDP1 (0.63) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL11690331 0.83 TDP1 (0.63) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL20176814 0.83 TDP1 (0.63) MAPTTDP1POLBKDM4EL3MBTL1
SCHEMBL27465110 0.81 MAPT (0.71) MAPTTDP1POLBKDM4EL3MBTL1

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-20180140525-A1 AGENT FOR STABILIZING KERATIN FIBERS WITH 5-RING HETEROCYCLES HENKEL AG & CO. KGAA (DE) 2018-05-24 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-20180140525-A1 AGENT FOR STABILIZING KERATIN FIBERS WITH 5-RING HETEROCYCLES KRT18, NDUFS5, NDUFA5 MAPT 1624/4885TDP1 4143/4885POLB 1895/4885

“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.