SCHEMBL5398281

SCHEMBL5398281

C=C[C](OC(C)=O)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 6/20 0.50
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
FGFR4 P22455 1/20 0.33
HPGD P15428 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
SCHEMBL475313 0.77
Acrylic Acid SCHEMBL2333871 0.77 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10TDP1TP53
SCHEMBL3273152 0.74
Ethylene SCHEMBL27514669 0.74 TSHR (0.47) ALDH1A1TSHRHSD17B10TDP1TP53
SCHEMBL21954820 0.74
SCHEMBL1652590 0.74
Acrylic Acid SCHEMBL9450266 0.74 TSHR (0.56) ALDH1A1TSHRHSD17B10TDP1TP53
SCHEMBL1148750 0.74
SCHEMBL10712288 0.73 TSHR (0.40) ALDH1A1TSHRHSD17B10TP53LMNA
Vinyl Chloride SCHEMBL28846831 0.73 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110713818-B Ultraviolet/moisture dual fast-curing polysiloxane adhesive composition 王安 2021-11-26 CN disclosed
CN-110713818-A Ultraviolet/moisture dual fast-curing polysiloxane adhesive composition 王安 2020-01-21 CN disclosed
US-10065938-B2 Method for producing hydride using unsaturated compound having carbon number of 4 as raw material MITSUBISHI CHEMICAL CORPORATION (JP) 2018-09-04 US disclosed
US-9522897-B2 Method for producing hydride using unsaturated compound having carbon number of 4 as raw material MITSUBISHI CHEMICAL CORPORATION (JP) 2016-12-20 US disclosed
US-20160297786-A1 METHOD FOR PRODUCING HYDRIDE USING UNSATURATED COMPOUND HAVING CARBON NUMBER OF 4 AS RAW MATERIAL MITSUBISHI CHEMICAL CORPORATION (JP) 2016-10-13 US disclosed
US-20140135511-A1 METHOD FOR PRODUCING HYDRIDE USING UNSATURATED COMPOUND HAVING CARBON NUMBER OF 4 AS RAW MATERIAL MITSUBISHI CHEMICAL CORPORATION (JP) 2014-05-15 US disclosed
JP-5374830-B2 2013-12-25 JP disclosed
JP-2007326852-A METHOD FOR ISOMERIZING DIACETOXYALLYL COMPOUND MITSUBISHI CHEMICALS CORP 2007-12-20 JP disclosed
JP-2007039400-A METHOD FOR PRODUCING ALLYL COMPOUND MITSUBISHI CHEMICALS CORP 2007-02-15 JP disclosed
JP-2006282564-A ISOMERIZATION METHOD OF DIACETOXYALLYL COMPOUND MITSUBISHI CHEMICALS CORP 2006-10-19 JP 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 (3 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-20140135511-A1 METHOD FOR PRODUCING HYDRIDE USING UNSATURATED COMPOUND HAVING CARBON NUMBER OF 4 AS RAW MATERIAL HRH4, HMOX2, HACD3 ALDH1A1 676/4885TSHR 4865/4885HSD17B10 30/4885
US-20160297786-A1 METHOD FOR PRODUCING HYDRIDE USING UNSATURATED COMPOUND HAVING CARBON NUMBER OF 4 AS RAW MATERIAL HRH4, HMOX2, HACD3 ALDH1A1 676/4885TSHR 4865/4885HSD17B10 30/4885
US-10065938-B2 Method for producing hydride using unsaturated compound having carbon number of 4 as raw material HRH4, HMOX2, HACD3 ALDH1A1 676/4885TSHR 4865/4885HSD17B10 30/4885

“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.