SCHEMBL2249192

SCHEMBL2249192

CCCCCCCCCCCCOc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OCCCCCCCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
CYP19A1 P11511 4/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PLA2G4B P0C869 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
PRSS1 P07477 3/20 0.47
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RECQL P46063 1/20 0.44
ALPG P10696 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL6933094 1.00 ESR1 (0.52) ESR1THRATHRBCYP19A1MAPT
SCHEMBL19799301 0.90 THRA (0.48) ESR1THRATHRBCYP19A1MAPT
SCHEMBL28401823 0.89 MAPT (0.47) ESR1THRATHRBCYP19A1MAPT
SCHEMBL9322138 0.88 THRA (0.54) ESR1THRATHRBCYP19A1MAPT
SCHEMBL11221682 0.88 THRA (0.49) ESR1THRATHRBCYP19A1MAPT
SCHEMBL28403518 0.86 THRA (0.48) ESR1THRATHRBCYP19A1MAPT
SCHEMBL28403461 0.86 THRA (0.48) ESR1THRATHRBCYP19A1MAPT
SCHEMBL28403147 0.86 MAPT (0.59) ESR1THRATHRBCYP19A1MAPT
SCHEMBL28402997 0.86 MAPT (0.59) ESR1THRATHRBCYP19A1MAPT
SCHEMBL28403526 0.86 THRA (0.48) ESR1THRATHRBCYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11711966-B2 Polymer and organic solar cell comprising same LG CHEM, LTD. (KR) 2023-07-25 US disclosed
US-11690282-B2 Organic solar cell LG CHEM, LTD. (KR) 2023-06-27 US disclosed
US-20180033970-A1 POLYMER AND ORGANIC SOLAR CELL COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-01 US disclosed
US-7994423-B2 Charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-08-09 US disclosed
US-7994423-B2 Charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-08-09 US disclosed
US-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2009-03-12 US disclosed
US-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2009-03-12 US disclosed
WO-2005123737-A9 CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF TY OF ARIZONA ARIZONA BOARD OF (US) 2006-04-06 WO disclosed
WO-2005123737-A2 CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-12-29 WO 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-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC9A3, SLC18A2, SLC9A2 ESR1 3667/4885THRA 4389/4885THRB 4700/4885

“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.