SCHEMBL6738733

SCHEMBL6738733

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
PTPN1 P18031 1/20 0.38
MCL1 Q07820 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37

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
SCHEMBL5610704 0.93 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10MAPTLMNA
SCHEMBL3767546 0.92 TOP1 (0.40) ALDH1A1KDM4EHSD17B10MAPTLMNA
SCHEMBL1850970 0.89 MAPT (0.39) ALDH1A1KDM4EHSD17B10MAPTLMNA
SCHEMBL12998810 0.88 PTPN1 (0.41) ALDH1A1KDM4EHSD17B10MAPTLMNA
SCHEMBL6739738 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10MAPTLMNA
SCHEMBL6740740 0.87 MEN1 (0.39) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL6857968 0.86 POLB (0.44) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL6743725 0.83 PTPN1 (0.43) ALDH1A1KDM4EHSD17B10MAPTLMNA
SCHEMBL27813524 0.83 ACHE (0.45) ALDH1A1KDM4EHSD17B10MAPTLMNA
SCHEMBL7112976 0.83 ELANE (0.37) ALDH1A1KDM4EHSD17B10MAPTLMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689776-B2 APPLYING TO THE CROP PLANTS BEING INFESTED WITH FUNGAL DISEASE, A BIPHENOXY COMPOUND IN ASSOCIATION WITH STROBILURIN OR CYANOIMIDAZOLE, OR CARBONIC ACID AMIDE SYNGENTA CROP PROTECTION, INC. 2004-02-10 US claimed
EP-1278414-B1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2003-12-17 EP claimed
US-20030166669-A1 Fungicidal compositions SYNGENTA CROP PROTECTION, INC. 2003-09-04 US claimed
EP-1185173-B1 FUNGICIDAL COMBINATIONS SYNGENTA PARTICIPATIONS AG (CH) 2003-05-28 EP claimed
EP-0899255-B1 Fungicidal 2,6,6'-trimethylbenzophenones BASF AG (DE) 2003-04-02 EP claimed
EP-1278414-A1 FUNGICIDAL COMPOSITIONS Syngenta Participations AG (CH) 2003-01-29 EP claimed
US-20020107246-A1 Fungicidal combinations SYNGENTA CROP PROTECTION, INC. 2002-08-08 US claimed
EP-1185173-A1 FUNGICIDAL COMBINATIONS Syngenta Participations AG (CH) 2002-03-13 EP claimed
WO-2001080643-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2001-11-01 WO claimed
US-6242498-B1 NONPHYTOTOXIC BASF AKTIENGESELLSCHAFT 2001-06-05 US claimed
WO-2000076317-A1 FUNGICIDAL COMBINATIONS SYNGENTA PARTICIPATIONS AG (CH) 2000-12-21 WO claimed
EP-0899255-A2 Fungicidal 2,6,6'-trimethylbenzophenones American Cyanamid Company (US) 1999-03-03 EP claimed
US-6790851-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, INC. 2004-09-14 US disclosed
US-6689776-B2 APPLYING TO THE CROP PLANTS BEING INFESTED WITH FUNGAL DISEASE, A BIPHENOXY COMPOUND IN ASSOCIATION WITH STROBILURIN OR CYANOIMIDAZOLE, OR CARBONIC ACID AMIDE SYNGENTA CROP PROTECTION, INC. 2004-02-10 US disclosed
EP-1278414-B1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2003-12-17 EP disclosed
US-20030166669-A1 Fungicidal compositions SYNGENTA CROP PROTECTION, INC. 2003-09-04 US disclosed
US-20020155518-A1 Method of detecting compounds that control fungal diseases via effects on sporulation BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 US disclosed
US-20020107246-A1 Fungicidal combinations SYNGENTA CROP PROTECTION, INC. 2002-08-08 US disclosed
US-6242498-B1 NONPHYTOTOXIC BASF AKTIENGESELLSCHAFT 2001-06-05 US disclosed
EP-0899255-A2 Fungicidal 2,6,6'-trimethylbenzophenones American Cyanamid Company (US) 1999-03-03 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 (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-20020107246-A1 Fungicidal combinations CBR1, CBR3, CYP4B1 ALDH1A1 1052/4885KDM4E 186/4885HSD17B10 169/4885
US-20030166669-A1 Fungicidal compositions CBR1, CBR3, CYP1B1 ALDH1A1 1123/4885KDM4E 1826/4885HSD17B10 280/4885

“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.