SCHEMBL822922

SCHEMBL822922

C=CC(=O)OCCOC12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(OCCOC(=O)C=C)(C3(F)F)C2(F)F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP3A4 P08684 2/20 0.44
HPGD P15428 1/20 0.41
THRB P10828 2/20 0.38
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL822781 0.74 TSHR (0.30) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL949335 0.74 CYP2C19 (0.41) ALDH1A1
SCHEMBL93462 0.73 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30604742 0.73 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL949106 0.72
SCHEMBL4323604 0.72 TSHR (0.31) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL137442 0.72 TSHR (0.31) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4454963 0.72 ALDH1A1 (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL900042 0.71 TSHR (0.80) TSHRALDH1A1TP53HIF1AHSD17B10
Ethylene SCHEMBL1165263 0.71 TSHR (0.80) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8535862-B2 Electrophotographic photoreceptor, image forming apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2013-09-17 US disclosed
US-8535862-B2 Electrophotographic photoreceptor, image forming apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2013-09-17 US disclosed
US-8518618-B2 Electrophotographic photoconductor, image forming apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2013-08-27 US disclosed
US-8518618-B2 Electrophotographic photoconductor, image forming apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2013-08-27 US disclosed
US-20120009513-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2012-01-12 US disclosed
US-20120009513-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2012-01-12 US disclosed
US-20120008978-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2012-01-12 US disclosed
US-7939682-B2 Fluorine-containing adamantane derivative, fluorine-containing adamantane derivative having polymerizable group, and resin composition containing same IDEMITSU KOSAN CO., LTD. (JP) 2011-05-10 US disclosed
US-7939682-B2 Fluorine-containing adamantane derivative, fluorine-containing adamantane derivative having polymerizable group, and resin composition containing same IDEMITSU KOSAN CO., LTD. (JP) 2011-05-10 US disclosed
US-20090149665-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, AND RESIN COMPOSITION CONTAINING SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-06-11 US disclosed
US-20090149665-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, AND RESIN COMPOSITION CONTAINING SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-06-11 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-20090149665-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, AND RESIN COMPOSITION CONTAINING SAME TAS1R1, ADORA1, TAS2R1 TSHR 1786/4885ALDH1A1 276/4885TP53 4442/4885

“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.