SCHEMBL17430255

SCHEMBL17430255

C=C(C)C(=O)OCCCOCC(COCCCOC(=O)C(=C)C)COC(=O)C(=C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
THRB P10828 1/20 0.49
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.35
PLA2G2C Q5R387 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 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
SCHEMBL12624218 0.88 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11213009 0.84 TSHR (0.63) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19698628 0.83 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10314654 0.83 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5702882 0.83 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL147268 0.83 TSHR (0.71) TSHRTHRBPOLBAPEX1HTT
SCHEMBL997770 0.81 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL24591457 0.81 THRB (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3183108 0.81 THRB (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL182045 0.81 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT

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-9740117-B2 Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus, and condensed polycyclic aromatic compound CANON KABUSHIKI KAISHA (JP) 2017-08-22 US disclosed
US-20160011529-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, AND CONDENSED POLYCYCLIC AROMATIC COMPOUND CANON KABUSHIKI KAISHA (JP) 2016-01-14 US 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-20160011529-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, AND CONDENSED POLYCYCLIC AROMATIC COMPOUND SLC18A1, TRPA1, PAH TSHR 2675/4885THRB 2922/4885POLB 605/4885

“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.