SCHEMBL6739738

SCHEMBL6739738

COc1ccc(C)c(C(=O)c2c(C)cc(OC)c(OC)c2OC)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TUBB1 Q9H4B7 4/20 0.40
HTT P42858 3/20 0.40
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40
TUBA1B P68363 3/20 0.40
TUBA4A P68366 3/20 0.40
TUBB4B P68371 3/20 0.40
TUBB3 Q13509 3/20 0.40
TUBB2A Q13885 3/20 0.40
TUBB8 Q3ZCM7 3/20 0.40
TUBA3E Q6PEY2 3/20 0.40
TUBA1A Q71U36 3/20 0.40
TUBA1C Q9BQE3 3/20 0.40
TUBB6 Q9BUF5 3/20 0.40

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
SCHEMBL12998810 0.92 PTPN1 (0.41) ALDH1A1TDP1GAATUBB1HTT
SCHEMBL7026298 0.88 PTPN1 (0.43) ALDH1A1TDP1GAASMN1; SMN2TUBB1
SCHEMBL27813524 0.87 ACHE (0.45) ALDH1A1TDP1GAATUBB1HTT
SCHEMBL6743725 0.87 PTPN1 (0.43) ALDH1A1TDP1GAATUBB1HTT
SCHEMBL6738733 0.87 ALDH1A1 (0.40) ALDH1A1TDP1GAATUBB1HTT
SCHEMBL6740826 0.86 MEN1 (0.41) L3MBTL1KMT2AMEN1HTR1AHTR2C
SCHEMBL6699530 0.85 PTPN1 (0.47) ALDH1A1GAATUBB1HTTTUBB4A
SCHEMBL7519964 0.84 KRAS (0.47) ALDH1A1TDP1GAATUBB1HTT
SCHEMBL6149583 0.83 CYP3A4 (0.46) ALDH1A1TDP1GAATUBB1HTT
SCHEMBL6737674 0.83 MAPT (0.43) ALDH1A1GAATUBB1HTTTUBB4A

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 20 patents. 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
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-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
EP-1185173-B1 FUNGICIDAL COMBINATIONS SYNGENTA PARTICIPATIONS AG (CH) 2003-05-28 EP disclosed
EP-0899255-B1 Fungicidal 2,6,6'-trimethylbenzophenones BASF AG (DE) 2003-04-02 EP disclosed
EP-1278414-A1 FUNGICIDAL COMPOSITIONS Syngenta Participations AG (CH) 2003-01-29 EP disclosed
US-20020107246-A1 Fungicidal combinations SYNGENTA CROP PROTECTION, INC. 2002-08-08 US disclosed
WO-2001080643-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2001-11-01 WO 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 1052/4885TDP1 1573/4885GAA 1515/4885
US-20030166669-A1 Fungicidal compositions CBR1, CBR3, CYP1B1 ALDH1A1 1123/4885TDP1 1838/4885GAA 1417/4885

“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.