SCHEMBL483452

SCHEMBL483452

C=CC(=O)NCOP(=O)(O)OP(=O)(O)OCNC(=O)C=C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
TGM2 P21980 1/20 0.33
BTN3A1 O00481 2/20 0.32
KRAS P01116 1/20 0.30
FNTA P49354 2/20 0.30
FNTB P49356 2/20 0.30
PGGT1B P53609 2/20 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
SCHEMBL483610 0.92 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL14678814 0.84 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL483453 0.81 TDP1 (0.42) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL337894 0.75 TSHR (0.44) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL16353777 0.73 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL844941 0.72 TSHR (0.59) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL16353959 0.70 ZDHHC20 (0.49) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL5161553 0.70 TSHR (0.42) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL10626929 0.70 TSHR (0.56) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL907318 0.69 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841105-B2 Organic-inorganic composite material and process for producing same NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2014-09-23 US disclosed
US-20120034670-A1 ORGANIC-INORGANIC COMPOSITE MATERIAL AND PROCESS FOR PRODUCING SAME NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2012-02-09 US disclosed
EP-2412677-A1 ORGANIC-INORGANIC COMPOSITE MATERIAL AND PROCESS FOR PRODUCING SAME National University Corporation Okayama University (JP) 2012-02-01 EP 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-20120034670-A1 ORGANIC-INORGANIC COMPOSITE MATERIAL AND PROCESS FOR PRODUCING SAME RIOX2, MAOA, FTO ALDH1A1 842/4885TSHR 3442/4885MAPK1 3165/4885

“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.