SCHEMBL2965327

SCHEMBL2965327

O=[N+]([O-])c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
EIF4E P06730 3/20 0.50
MASP2 O00187 1/20 0.48
F2 P00734 1/20 0.48
KIF11 P52732 1/20 0.47
POLB P06746 2/20 0.47
CYP19A1 P11511 1/20 0.46
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
P2RX1 P51575 1/20 0.43
PTGES O14684 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43

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
SCHEMBL8503210 0.87 ALDH1A1 (0.50) ALDH1A1TDP1EIF4EMASP2F2
SCHEMBL15868446 0.85 ALDH1A1 (0.58) ALDH1A1TDP1EIF4EMASP2F2
SCHEMBL12632132 0.83 ALDH1A1 (0.65) ALDH1A1TDP1LMNAMAPTTSHR
SCHEMBL14797395 0.82 EIF4E (0.73) EIF4E
SCHEMBL8981842 0.82 ALDH1A1 (0.59) ALDH1A1TDP1EIF4EMASP2F2
SCHEMBL2331432 0.80 TDP1 (0.71) ALDH1A1TDP1EIF4EPOLBLMNA
SCHEMBL2963618 0.80 ALDH1A1 (0.56) ALDH1A1TDP1MASP2F2POLB
SCHEMBL2958562 0.80 ALDH1A1 (0.92) ALDH1A1TDP1POLBCYP3A4TSHR
Trifluoromethylbenzene SCHEMBL27548389 0.80 ALDH1A1 (0.58) ALDH1A1TDP1KIF11POLBLMNA
SCHEMBL44392 0.79 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9525145-B2 Silicon-based compound and organic light emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-20 US disclosed
US-9525145-B2 Silicon-based compound and organic light emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-20 US disclosed
US-9525145-B2 Silicon-based compound and organic light emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-20 US disclosed
CN-104230719-B A kind of method preparing substituted biphenyl HUAZHONG NORMAL UNIVERSITY (CN) 2016-04-13 CN disclosed
CN-104230719-A Method for preparing substituted biphenyl UNIV HUAZHONG NORMAL 2014-12-24 CN disclosed
US-20140191207-A1 SILICON-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-10 US disclosed
US-20140191207-A1 SILICON-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-10 US disclosed
US-20140191207-A1 SILICON-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-10 US disclosed
US-7772446-B2 Method for producing substituted biphenyls BASF SE (DE) 2010-08-10 US disclosed
EP-1856024-B1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF SE (DE) 2008-08-06 EP disclosed
US-20080183021-A1 Method for Producing Substituted Biphenyls BASF SE (DE) 2008-07-31 US disclosed
EP-1856024-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP disclosed
WO-2006092429-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCAHFT (DE) 2006-09-08 WO disclosed
US-6362380-B1 REACTING 2-NITROCHLOROBENZENE AND A BORONIC ACID ; PALLADIUM CATALYST BASF AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed
EP-0888261-B1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AG (DE) 2001-11-28 EP 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-20080183021-A1 Method for Producing Substituted Biphenyls CBR3, DDT, HRH3 ALDH1A1 2309/4885TDP1 1458/4885EIF4E 4735/4885

“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.