SCHEMBL19019778

SCHEMBL19019778

C=C(C)C(=O)OC(CC)(CC)CCO

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.36
TSHR P16473 3/20 0.35
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL12941441 0.91 TSHR (0.36) ALDH1A1THRBTSHRCYP4F2CYP4A11
SCHEMBL19019785 0.89 CYP4F2 (0.39) ALDH1A1THRBTSHRCYP4F2CYP4A11
SCHEMBL19019774 0.87 CYP4F2 (0.41) ALDH1A1THRBTSHRCYP4F2CYP4A11
SCHEMBL1963686 0.86 ALDH1A1 (0.38) ALDH1A1THRBTSHR
SCHEMBL16291366 0.86 TSHR (0.40) ALDH1A1THRBTSHR
SCHEMBL19019803 0.86 CYP4F2 (0.40) ALDH1A1THRBTSHRCYP4F2CYP4A11
SCHEMBL278099 0.86 ALDH1A1 (0.44) ALDH1A1THRBTSHR
SCHEMBL11146383 0.83 ALDH1A1 (0.40) ALDH1A1THRBTSHR
SCHEMBL16291137 0.82 TSHR (0.40) ALDH1A1THRBTSHR
SCHEMBL19019795 0.81 THRB (0.50) ALDH1A1THRBTSHR

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 ALDH1A1 280/4885THRB 772/4885TSHR 3756/4885
US-20170290746-A1 DENTAL POLYMERIZABLE COMPOSITION MMAB, GRIN2B, CAD ALDH1A1 280/4885THRB 772/4885TSHR 3756/4885

“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.