SCHEMBL2816050

SCHEMBL2816050

CC1(C)OB(c2ccc3ccc4c(B5OC(C)(C)C(C)(C)O5)ccc5ccc2c3c54)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.38
LIPG Q9Y5X9 12/20 0.38
F11 P03951 1/20 0.33
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 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
SCHEMBL224510 0.93 ALDH1A1 (0.44) LPLLIPGALDH1A1CYP3A4HPGD
SCHEMBL29851154 0.93 ALDH1A1 (0.44) LPLLIPGALDH1A1CYP3A4HPGD
SCHEMBL16558497 0.90 LPL (0.33) LPLLIPG
SCHEMBL12181391 0.88 ALDH1A1 (0.37) LPLLIPGP2RX7ALDH1A1CYP3A4
SCHEMBL12200677 0.87 HPGD (0.48) LPLLIPGALDH1A1CYP3A4HPGD
SCHEMBL14706983 0.87 LPL (0.34) LPLLIPG
SCHEMBL1984017 0.86 LPL (0.33) LPLLIPG
SCHEMBL2228059 0.86 LPL (0.36) LPLLIPG
SCHEMBL16535360 0.85 LPL (0.39) LPLLIPGF11P2RX7
SCHEMBL14961217 0.84 LPL (0.44) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9864077-B2 Boron containing organic/hybrid scintillation materials for gamma and neutron detection NATIONAL SCIENCE FOUNDATION 2018-01-09 US disclosed
US-9695274-B2 Polymers containing 2,7-pyrene structural units MERCK PATENT GMBH (DE) 2017-07-04 US disclosed
US-9695274-B2 Polymers containing 2,7-pyrene structural units MERCK PATENT GMBH (DE) 2017-07-04 US disclosed
EP-1888706-B1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2017-03-01 EP disclosed
US-9403849-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2016-08-02 US disclosed
US-9403849-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2016-08-02 US disclosed
US-20160178766-A1 BORON CONTAINING ORGANIC/HYBRID SCINTILLATION MATERIALS FOR GAMMA AND NEUTRON DETECTION NATIONAL SCIENCE FOUNDATION 2016-06-23 US disclosed
US-9293712-B2 Disubstituted pyrene compounds with amino group containing ortho aryl group and devices containing the same UNIVERSAL DISPLAY CORPORATION (US) 2016-03-22 US disclosed
US-9293712-B2 Disubstituted pyrene compounds with amino group containing ortho aryl group and devices containing the same UNIVERSAL DISPLAY CORPORATION (US) 2016-03-22 US disclosed
US-9293712-B2 Disubstituted pyrene compounds with amino group containing ortho aryl group and devices containing the same UNIVERSAL DISPLAY CORPORATION (US) 2016-03-22 US disclosed
WO-2011158953-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FORMED THEREFROM, ORGANIC ELECTRONIC DEVICE, ORGANIC THIN-FILM TRANSISTOR AND DISPLAY DEVICE USING THE ORGANIC SEMICONDUCTOR MATERIAL, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND RICOH COMPANY, LTD. (JP) 2011-12-22 WO disclosed
US-20100249319-A1 POLYMER COMPOUND, METHOD FOR PRODUCING THE SAME, AND COMPOSITION CONTAINING THE POLYMER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 US disclosed
US-20100249319-A1 POLYMER COMPOUND, METHOD FOR PRODUCING THE SAME, AND COMPOSITION CONTAINING THE POLYMER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 US disclosed
US-20100249319-A1 POLYMER COMPOUND, METHOD FOR PRODUCING THE SAME, AND COMPOSITION CONTAINING THE POLYMER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 US disclosed
EP-2208745-A1 POLYMER COMPOUND, METHOD FOR PRODUCING THE SAME, AND COMPOSITION CONTAINING THE POLYMER COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-07-21 EP disclosed
EP-2208745-A1 POLYMER COMPOUND, METHOD FOR PRODUCING THE SAME, AND COMPOSITION CONTAINING THE POLYMER COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-07-21 EP disclosed
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 US disclosed
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 US disclosed
US-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2009-05-28 US disclosed
US-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2009-05-28 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 (2 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-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN BTD, ERG, OR10J3 LPL 4156/4885LIPG 2769/4885F11 3047/4885
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device PPOX, JUP, TARDBP LPL 1946/4885LIPG 1539/4885F11 2873/4885

“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.