SCHEMBL17427311

SCHEMBL17427311

CC1(C)c2cc(CCc3cc(CO)c(O)c(CO)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(CCc5cc(CO)c(O)c(CO)c5)ccc3-4)cc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.36
▸ SHBG P04278 1/20 0.34
▸ RARA P10276 2/20 0.33
▸ RARB P10826 2/20 0.33
▸ RARG P13631 2/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ VDR P11473 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ AKR1B1 P15121 1/20 0.31

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
SCHEMBL17427322 1.00 PDK2 (0.36) PDK2SHBGRARARARBRARG
SCHEMBL16017888 0.95 SHBG (0.40) PDK2SHBGRARARARBRARG
SCHEMBL16017999 0.95 SHBG (0.40) PDK2SHBGRARARARBRARG
SCHEMBL16020484 0.94 BACE1 (0.36) PDK2SHBGRARARARBRARG
SCHEMBL16020448 0.94 BACE1 (0.36) PDK2SHBGRARARARBRARG
SCHEMBL18769251 0.91 PDK2 (0.41) PDK2
SCHEMBL18752038 0.87 PDK2 (0.38) PDK2SHBG
SCHEMBL17913980 0.86 MPL (0.32) PDK2
SCHEMBL18769250 0.86 PDK2 (0.38) PDK2BACE1
SCHEMBL17577179 0.85 SHBG (0.38) PDK2SHBGRARARARBRARG

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 PDK2 3088/4885SHBG 1159/4885RARA 766/4885

“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.

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