SCHEMBL19601185

SCHEMBL19601185

C=CC(=O)C(C)(C)OCCC(C)(C)OC(=O)CCC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL20987816 0.88 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL19601181 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20246902 0.81 HPGD (0.33) HPGDTSHR
SCHEMBL10064197 0.81 TSHR (0.33) ALDH1A1HPGDTSHR
SCHEMBL13478024 0.81 GAA (0.36)
SCHEMBL21239298 0.81 ALDH1A1 (0.36) ALDH1A1
SCHEMBL16366077 0.80 CYP4F2 (0.31) HPGDTSHR
SCHEMBL19478863 0.79 ALDH1A1 (0.40) ALDH1A1
SCHEMBL20218813 0.79 HPGD (0.42) ALDH1A1HPGDTSHR
SCHEMBL19478913 0.78 ALDH1A1 (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190137872-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT OF SAME, PRINTING INK, AND PRINTED MATTER SURING THE PRINTING INK DIC CORPORATION (JP) 2019-05-09 US disclosed
WO-2017195428-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT THEREOF, PRINTING INK, AND PRINTED MATTER USING PRINTING INK DIC株式会社 2017-11-16 WO 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-20190137872-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT OF SAME, PRINTING INK, AND PRINTED MATTER SURING THE PRINTING INK EPB41, CDK1, CDKN1A ALDH1A1 615/4885HPGD 2776/4885TSHR 4758/4885

“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.