SCHEMBL19019797

SCHEMBL19019797

C=C(C)C(=O)OC(C)(C)CCCO

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.37
CYP4A11 Q02928 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 3/20 0.35
THRB P10828 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL19019798 0.98 CYP4F2 (0.40) CYP4F2CYP4A11TDP1ALDH1A1TSHR
SCHEMBL19019776 0.96 CYP4F2 (0.42) CYP4F2CYP4A11TDP1ALDH1A1TSHR
SCHEMBL7706303 0.90 ALDH1A1 (0.41) TDP1ALDH1A1TSHRTHRBGAA
SCHEMBL7701340 0.90 ALDH1A1 (0.41) ALDH1A1TSHRTHRBGAA
SCHEMBL7709308 0.88 TSHR (0.41) CYP4F2CYP4A11TDP1ALDH1A1TSHR
SCHEMBL7701376 0.88 TSHR (0.41) CYP4F2CYP4A11TDP1ALDH1A1TSHR
SCHEMBL6924019 0.88 ALDH1A1 (0.39) ALDH1A1TSHRTHRBGAA
SCHEMBL7706289 0.88 TSHR (0.41) CYP4F2CYP4A11TDP1ALDH1A1TSHR
SCHEMBL1067047 0.86 ALDH1A1 (0.44) TDP1ALDH1A1TSHRTHRBGAA
SCHEMBL703086 0.85 TSHR (0.47) ALDH1A1TSHRTHRBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10426712-B2 Dental polymerizable composition KURARAY NORITAKE DENTAL INC. (JP) 2019-10-01 US disclosed
US-20170290746-A1 DENTAL POLYMERIZABLE COMPOSITION KURARAY NORITAKE DENTAL INC. (JP) 2017-10-12 US disclosed
US-20170240739-A1 ACTIVE ENERGY RAY CURABLE COMPOSITIONS KURARAY CO., LTD. (JP) 2017-08-24 US disclosed
EP-3195846-A1 DENTAL POLYMERIZABLE COMPOSITION Kuraray Noritake Dental Inc. (JP) 2017-07-26 EP disclosed
EP-3184563-A1 ACTIVE ENERGY RAY-CURABLE COMPOSITION Kuraray Co., Ltd. (JP) 2017-06-28 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 (2 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-10426712-B2 Dental polymerizable composition MMAB, GRIN2B, CAD CYP4F2 4227/4885CYP4A11 4597/4885TDP1 2116/4885
US-20170290746-A1 DENTAL POLYMERIZABLE COMPOSITION MMAB, GRIN2B, CAD CYP4F2 4227/4885CYP4A11 4597/4885TDP1 2116/4885

“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.