SCHEMBL1047503

SCHEMBL1047503

C=C(C/C=C/CO)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TET2 Q6N021 5/20 0.34
TET3 O43151 1/20 0.34
TET1 Q8NFU7 1/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRM1 Q13255 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL1047505 1.00 ALOX15 (0.39) ALOX15ALDH1A1CYP2D6HSD17B10TET2
SCHEMBL11241202 0.89 ALOX15 (0.47) ALOX15ALDH1A1CYP2D6HSD17B10TET2
SCHEMBL11126445 0.89 ALOX15 (0.47) ALOX15ALDH1A1CYP2D6HSD17B10TET2
SCHEMBL2223054 0.81 TET2 (0.37) ALOX15ALDH1A1CYP2D6HSD17B10TET2
SCHEMBL11291369 0.78 TDP1 (0.38) ALOX15ALDH1A1CYP2D6HSD17B10TET2
SCHEMBL11291372 0.78 TDP1 (0.38) ALOX15ALDH1A1CYP2D6HSD17B10TET2
SCHEMBL2119437 0.78 ALDH1A1 (0.39) ALOX15ALDH1A1CYP2D6HSD17B10TET2
SCHEMBL5669666 0.78 ALOX15 (0.33) ALOX15ALDH1A1CYP2D6HSD17B10
SCHEMBL87513 0.77
SCHEMBL18277281 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951616-B2 Ester group containing liquid crystals for optical or electro optical devices ROLIC AG (CH) 2015-02-10 US disclosed
EP-2451892-B1 ESTER GROUP CONTAINING LIQUID CRYSTALS FOR OPTICAL OR ELECTRO OPTICAL DEVICES ROLIC AG (CH) 2013-11-20 EP disclosed
EP-2451892-A1 ESTER GROUP CONTAINING LIQUID CRYSTALS FOR OPTICAL OR ELECTRO OPTICAL DEVICES Rolic AG (CH) 2012-05-16 EP disclosed
US-20120114907-A1 ESTER GROUP CONTAINING LIQUID CRYSTALS FOR OPTICAL OR ELECTRO OPTICAL DEVICES ROLIC AG. (CH) 2012-05-10 US disclosed
WO-2011003846-A1 ESTER GROUP CONTAINING LIQUID CRYSTALS FOR OPTICAL OR ELECTRO OPTICAL DEVICES ROLIC AG (CH) 2011-01-13 WO disclosed
EP-2272937-A1 Ester group containing compounds for optical or electro optical devices Rolic AG (CH) 2011-01-12 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-20120114907-A1 ESTER GROUP CONTAINING LIQUID CRYSTALS FOR OPTICAL OR ELECTRO OPTICAL DEVICES MLEC, CEL, AQP4 ALOX15 480/4885ALDH1A1 2167/4885CYP2D6 3465/4885

“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.