SCHEMBL2999406

SCHEMBL2999406

Cc1cc(Br)cc2c(C)cc(Br)cc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.37
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 2/20 0.33
GSK3B P49841 1/20 0.33
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
EGFR P00533 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
AHR P35869 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.30

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
SCHEMBL1755248 0.76 NQO2 (0.38) NQO2ALDH1A1MAPK1HTR1DHTR1B
SCHEMBL12159414 0.76 NQO2 (0.38) NQO2ALDH1A1MAPK1HTR1DHTR1B
SCHEMBL13550083 0.76 NQO2 (0.38) NQO2ALDH1A1MAPK1HTR1DHTR1B
SCHEMBL6602218 0.72 CYP1A2 (0.61) NQO2ALDH1A1TSHRTDP1HPGD
SCHEMBL1661825 0.71 ERN1 (0.37) NQO2ALDH1A1CYP3A4TSHRLMNA
SCHEMBL23961452 0.71 NQO2 (0.35) NQO2ALDH1A1MAPK1HTR1DHTR1B
SCHEMBL515150 0.71 NQO2 (0.35) NQO2ALDH1A1MAPK1HTR1DHTR1B
SCHEMBL3822710 0.71 NQO2 (0.35) NQO2ALDH1A1MAPK1HTR1DHTR1B
SCHEMBL146892 0.71 ALDH1A1 (0.58) NQO2ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL6377840 0.71 NQO2 (0.35) NQO2ALDH1A1MAPK1HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9793486-B2 Polymer compound and light-emitting element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-9793486-B2 Polymer compound and light-emitting element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-20140014935-A1 POLYMER COMPOUND AND LIGHT-EMITTING ELEMENT USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
US-20140014935-A1 POLYMER COMPOUND AND LIGHT-EMITTING ELEMENT USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
US-20100187511-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
US-20100187511-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
US-20100187511-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
EP-2159217-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-03-03 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-20100187511-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME TYR, DDC, OCIAD2 NQO2 2615/4885ALDH1A1 428/4885MAPK1 752/4885

“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.