SCHEMBL807279

SCHEMBL807279

CC(C)c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSS P25774 2/20 0.37
HSD11B1 P28845 2/20 0.36
AXL P30530 1/20 0.36
KIF11 P52732 1/20 0.36
PARP1 P09874 1/20 0.36
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HTR2A P28223 1/20 0.35
CES1 P23141 1/20 0.35
ESR1 P03372 1/20 0.35
CTSK P43235 1/20 0.35
TRPA1 O75762 1/20 0.35
CA2 P00918 2/20 0.34
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL10304749 0.89 P2RX7 (0.42) P2RX7ALDH1A1TDP1CTSSHSD11B1
SCHEMBL10796149 0.89 P2RX7 (0.50) P2RX7ALDH1A1HSD11B1HTR2CHTR2B
SCHEMBL4547921 0.89 P2RX7 (0.42) P2RX7CTSSHSD11B1AXLPARP1
SCHEMBL25413584 0.87 P2RX7 (0.41) P2RX7ALDH1A1POLBTDP1L3MBTL1
SCHEMBL12985854 0.87 P2RX7 (0.49) P2RX7ALDH1A1CTSSHSD11B1CTSK
SCHEMBL25434873 0.87 P2RX7 (0.44) P2RX7L3MBTL1CTSSHSD11B1AXL
SCHEMBL20115058 0.87 P2RX7 (0.41) P2RX7ALDH1A1TDP1CTSSHTR2C
SCHEMBL19365962 0.85 P2RX7 (0.40) P2RX7CTSSHSD11B1IDO1
SCHEMBL19509135 0.84 KDM4E (0.43) P2RX7CA2KDM4ESMN1; SMN2CA1
SCHEMBL21668253 0.84 P2RX7 (0.39) P2RX7TDP1L3MBTL1CTSSHSD11B1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230284516-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-07 US disclosed
WO-2023083269-A1 AROMATIC HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 中国科学院上海药物研究所 2023-05-19 WO disclosed
US-20230144846-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-05-11 US disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20220396596-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-12-15 US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
US-20210332206-A1 REGIOSELECTIVE C-H XANTHYLATION AS A PLATFORM TECHNOLOGY FOR POLYMER FUNCTIONALIZATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2021-10-28 US disclosed
US-10644249-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2020-05-05 US disclosed
US-10472346-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2019-11-12 US disclosed
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 WO disclosed
US-8293721-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARPE & DOHME CORP. (US) 2012-10-23 US disclosed
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis CAMBRIA PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012066061-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-24 WO disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME LLC 2010-07-22 US disclosed
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME LLC 2010-07-22 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 (11 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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 P2RX7 1425/4885ALDH1A1 382/4885POLB 1702/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 P2RX7 1425/4885ALDH1A1 382/4885POLB 1702/4885
US-20230144846-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OXER1, OCIAD1, OCIAD2 P2RX7 2202/4885ALDH1A1 501/4885POLB 1480/4885
US-20220396596-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, DRD3 P2RX7 2902/4885ALDH1A1 1664/4885POLB 2416/4885
US-20230284516-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OXER1, LBR, C1R P2RX7 1454/4885ALDH1A1 1177/4885POLB 2486/4885
US-10472346-B2 Potent gamma-secretase modulators BACE1, BACE2, APP P2RX7 3476/4885ALDH1A1 2207/4885POLB 2262/4885
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP P2RX7 1083/4885ALDH1A1 2019/4885POLB 1879/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 P2RX7 1762/4885ALDH1A1 1560/4885POLB 2356/4885
US-10644249-B2 Composition of matter for use in organic light-emitting diodes NDUFV3, SLCO1B3, CRY2 P2RX7 1436/4885ALDH1A1 99/4885POLB 724/4885
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B P2RX7 4302/4885ALDH1A1 699/4885POLB 2652/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R P2RX7 533/4885ALDH1A1 1372/4885POLB 955/4885

“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.