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SCHEMBL6859535

SCHEMBL6859535

COc1cc(C)c(C(=O)c2c(OC(=O)C(C)(C)C)ccc(Br)c2C)c(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 6/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ TUBB1 Q9H4B7 3/20 0.33
▸ CYP1A2 P05177 1/20 0.32

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
Metrafenone SCHEMBL29408434 0.88 ALDH1A1 (0.42) ALDH1A1MAPTMEN1HPGDKMT2A
Metrafenone SCHEMBL30013482 0.88 ALDH1A1 (0.42) ALDH1A1MAPTMEN1HPGDKMT2A
Metrafenone SCHEMBL20788 0.88 ALDH1A1 (0.42) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL6860817 0.87 POLB (0.44) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL7112976 0.86 ELANE (0.37) ELANEALDH1A1MAPTMEN1HPGD
SCHEMBL6743725 0.83 PTPN1 (0.43) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL7110651 0.82 ELANE (0.43) ELANEMAPTKMT2ANPSR1PTPN1
SCHEMBL3762760 0.81 MEN1 (0.39) ALDH1A1MAPTMEN1HPGDKMT2A
Metrafenone SCHEMBL1613717 0.81 HPGD (0.52) ALDH1A1MAPTHPGDTUBB1CYP1A2
SCHEMBL13409130 0.80 ALDH1A1 (0.42) ALDH1A1MAPTMEN1HPGDKMT2A

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
EP-0967196-B1 Substituted 2-hydroxybenzophenones, preparation thereof, their use as fungicide and their fungicidal compositions BASF AG (DE) 2003-10-22 — — EP claimed
EP-0967196-A2 Substituted 2-hydroxybenzophenones, preparation thereof, their use as fungicide and their fungicidal compositions American Cyanamid Company (US) 1999-12-29 — — EP claimed
US-6790851-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, INC. 2004-09-14 — — US disclosed
EP-1278414-B1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2003-12-17 — — EP disclosed
EP-0967196-B1 Substituted 2-hydroxybenzophenones, preparation thereof, their use as fungicide and their fungicidal compositions BASF AG (DE) 2003-10-22 — — EP disclosed
US-20030166669-A1 Fungicidal compositions SYNGENTA CROP PROTECTION, INC. 2003-09-04 — — US disclosed
US-6127570-A USEFUL AS FUNGICIDES HAVING HIGH SYSTEMICITIES AMERICAN CYANAMID COMPANY (US) 2000-10-03 — — US disclosed
EP-0967196-A2 Substituted 2-hydroxybenzophenones, preparation thereof, their use as fungicide and their fungicidal compositions American Cyanamid Company (US) 1999-12-29 — — 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-20030166669-A1 Fungicidal compositions CBR1, CBR3, CYP1B1 ELANE 3675/4885ALDH1A1 1123/4885MAPT 4860/4885

“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.