SCHEMBL3767546

SCHEMBL3767546

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 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
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 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
SCHEMBL5610704 0.93 ALDH1A1 (0.44) TOP1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL6738733 0.92 ALDH1A1 (0.40) TOP1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL6857968 0.91 POLB (0.44) TOP1ALDH1A1KMT2AMAPTHPGD
SCHEMBL6743080 0.90 PDE4D (0.42) TOP1ALDH1A1KDM4EMAPTLMNA
SCHEMBL1850970 0.89 MAPT (0.39) TOP1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL7525724 0.89 MAPT (0.41) TOP1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL6740158 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10KMT2AMAPT
SCHEMBL7112976 0.88 ELANE (0.37) TOP1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL7524397 0.88 TUBB4A (0.38) TOP1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL6741400 0.84 LMNA (0.40) ALDH1A1KMT2AMAPTLMNATUBB4A

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 32 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-1189508-B1 FUNGICIDAL COMPOSITIONS BAYER CROPSCIENCE AG (DE) 2003-10-08 EP claimed
EP-1185173-B1 FUNGICIDAL COMBINATIONS SYNGENTA PARTICIPATIONS AG (CH) 2003-05-28 EP claimed
US-6472428-B1 Fungicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 2002-10-29 US claimed
US-20020107246-A1 Fungicidal combinations SYNGENTA CROP PROTECTION, INC. 2002-08-08 US claimed
EP-1189508-A1 FUNGICIDAL COMPOSITIONS Bayer Aktiengesellschaft (DE) 2002-03-27 EP claimed
EP-1185173-A1 FUNGICIDAL COMBINATIONS Syngenta Participations AG (CH) 2002-03-13 EP claimed
EP-0897904-B1 Fungicidal 2-methoxybenzophenones BASF AG (DE) 2002-02-20 EP claimed
WO-2000076317-A1 FUNGICIDAL COMBINATIONS SYNGENTA PARTICIPATIONS AG (CH) 2000-12-21 WO claimed
WO-2000072677-A1 FUNGICIDAL COMPOSITIONS BAYER AKTIENGESELLSCHAFT (CH) 2000-12-07 WO claimed
US-5945567-A Fungicidal 2-methoxybenzophenones AMERICAN CYANAMID COMPANY (US) 1999-08-31 US claimed
EP-0897904-A1 Fungicidal 2-methoxybenzophenones American Cyanamid Company (US) 1999-02-24 EP claimed
US-7846958-B2 Fungicidal use BASF SE (DE) 2010-12-07 US disclosed
EP-1523238-B1 FUNGICIDAL USE BASF SE (DE) 2009-01-14 EP disclosed
US-6790851-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, INC. 2004-09-14 US disclosed
US-20040063793-A1 Fungicidal use BASF SE (DE) 2004-04-01 US disclosed
WO-2000072677-A1 FUNGICIDAL COMPOSITIONS BAYER AKTIENGESELLSCHAFT (CH) 2000-12-07 WO disclosed
US-6001883-A SUBSTITUTED BENZOPHENONES OF GIVEN FORMULA, SUCH AS 6,6'-DIMETHYL-2,2',3',4'-TETRAMETHOXY-5-TRIFLUOROMETHYL-BENZOPHENONE; HIGHLY SYSTEMIC FUNGICIDES; CONTROLLING FUNGAL DISEASE SUCH AS POWDERY MILDEW IN PLANTS AMERICAN CYANAMID COMPANY (US) 1999-12-14 US disclosed
US-5945567-A Fungicidal 2-methoxybenzophenones AMERICAN CYANAMID COMPANY (US) 1999-08-31 US disclosed
EP-0897904-A1 Fungicidal 2-methoxybenzophenones American Cyanamid Company (US) 1999-02-24 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 TOP1 462/4885ALDH1A1 1052/4885KDM4E 186/4885
US-20040063793-A1 Fungicidal use TUBA1C, COXFA4L2, CBR3 TOP1 486/4885ALDH1A1 458/4885KDM4E 2021/4885

“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.