SCHEMBL1415795

SCHEMBL1415795

COC(=O)C1=C(Nc2ccc(Br)cc2)CC(C(=O)OC)=C(Nc2ccc(Br)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ AKR1C3 P42330 2/20 0.41
▸ AKR1C2 P52895 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ GRK2 P25098 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ DHODH Q02127 1/20 0.38

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
SCHEMBL1415828 0.85 TDP1 (0.48) ACHEHPGDMEN1KMT2ATDP1
SCHEMBL1415465 0.83 MEN1 (0.49) ACHEMEN1KMT2ALMNAMAPK1
SCHEMBL1415617 0.83 SLC6A3 (0.49) ACHEHPGDMEN1KMT2AAKR1C3
SCHEMBL1415808 0.83 HTT (0.54) ACHEMEN1KMT2ATDP1AKR1C3
SCHEMBL3909905 0.83 MAPT (0.53) ACHEHPGDMEN1KMT2ALMNA
SCHEMBL17629476 0.81 ACHE (0.41) ACHEHPGDMEN1KMT2ATDP1
SCHEMBL15131715 0.81 MAPT (0.45) ACHEHPGDMEN1KMT2ALMNA
SCHEMBL17636740 0.81 MAPT (0.48) ACHEHPGDMEN1KMT2ATDP1
SCHEMBL1415410 0.81 AKR1C3 (0.45) MEN1KMT2AAKR1C3AKR1C2LMNA
SCHEMBL3902803 0.81 MAPT (0.45) HPGDMEN1KMT2ATDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399742-B1 QUINACRIDONE LABELLING REAGENTS FOR FLUORESCENCE DETECTION OF BIOLOGICAL MATERIALS GE HEALTHCARE UK LTD (GB) 2011-03-16 — — EP disclosed
US-20090054649-A1 Bridged Organosilane and Production Method Thereof KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2009-02-26 — — US disclosed
US-20090054649-A1 Bridged Organosilane and Production Method Thereof KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2009-02-26 — — US disclosed
US-20090054649-A1 Bridged Organosilane and Production Method Thereof KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2009-02-26 — — US disclosed
EP-0632106-B2 Process for the production of 2,5-di(arylamino)-3,6- dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MFG CO (JP) 2009-02-25 — — EP disclosed
US-7335771-B2 Quinacridone derivatives as labelling reagents for fluorescence detection of biological materials GE HEALTHCARE UK LIMITED (GB) 2008-02-26 — — US disclosed
US-20040171014-A1 Quinacridone derivatives as labelling reagents for flurescence detection of bilogical materials TTP LABTECH LIMITED (GB) 2004-09-02 — — US disclosed
EP-0632106-B1 Process for the production of 2,5-di(arylamino)-3,6- dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MFG CO (JP) 2001-08-22 — — EP disclosed
US-5817817-A Process for the production of 2,5-di(arylamino)-3,6-dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MANUFACTURING CO., LTD. (JP) 1998-10-06 — — US disclosed
US-5659036-A Process for the production of 2,5-di(arylamino)-3,6-dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MANUFACTURING CO., LTD. (JP) 1997-08-19 — — US disclosed
EP-0632106-A1 Process for the production of 2,5-di(arylamino)-3,6- dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MANUFACTURING CO., LTD. (JP) 1995-01-04 — — 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 (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-20090054649-A1 Bridged Organosilane and Production Method Thereof C5, CCNE1, QSOX1 ACHE 3144/4885HPGD 2345/4885MEN1 12/4885
US-20040171014-A1 Quinacridone derivatives as labelling reagents for flurescence detection of bilogical materials Q6ZSR9, MPHOSPH6, NQO2 ACHE 2569/4885HPGD 2892/4885MEN1 4820/4885

“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.

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