SCHEMBL1574529

SCHEMBL1574529

O=C(O)CC1C=COc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
CYP2C9 P11712 1/20 0.36
ATM Q13315 2/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
USP2 O75604 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
APEX1 P27695 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL3430197 0.85 ATM (0.41) EGFRCYP2C9ATMLMNAMEN1
SCHEMBL7444588 0.76 GSK3B (0.43) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL8389861 0.76 MAPK1 (0.42) CYP2C9MAPTMEN1KMT2ATSHR
SCHEMBL293418 0.75 MAOA (0.32)
SCHEMBL9772861 0.75 HTR2A (0.36) ATMMEN1KMT2A
SCHEMBL9245713 0.74 CYP2C9 (0.39) CYP2C9ATMLMNAMEN1KMT2A
SCHEMBL8309737 0.72 IDO1 (0.35) MEN1KMT2A
SCHEMBL294641 0.72 MAOA (0.31)
SCHEMBL5605786 0.72 EGFR (0.36) EGFRCYP2C9ATMMAPTLMNA
SCHEMBL21879795 0.70 ATM (0.38) CYP2C9ATMMAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306007-A1 Compositions and method to safen crops from injury caused by uracil-substituted benzisothiazoles BASF AKTIENGESELLSCHAFT (DE) 2003-05-02 EP claimed
EP-2654426-A2 USE OF ISOTHIAZOLECARBOXAMIDES TO CREATE LATENT HOST DEFENSES IN A PLANT Bayer Intellectual Property GmbH (DE) 2013-10-30 EP disclosed
EP-2485587-A2 PESTICIDAL COMPOSITION FOR COATING SEED WITH A HERBICIDE Syngenta Participations AG (CH) 2012-08-15 EP disclosed
US-20120196748-A1 PESTICIDAL COMPOSITION SYNGENTA LIMITED (GB) 2012-08-02 US disclosed
WO-2012084858-A2 USE OF ISOTHIAZOLECARBOXAMIDES TO CREATE LATENT HOST DEFENSES IN A PLANT BAYER CROPSCIENCE AG (DE) 2012-06-28 WO disclosed
WO-2011042506-A2 PESTICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2011-04-14 WO disclosed
EP-2308297-A1 Pesticidal composition for coating seed with a herbicide Syngenta Participations AG (CH) 2011-04-13 EP disclosed
EP-1306007-A1 Compositions and method to safen crops from injury caused by uracil-substituted benzisothiazoles BASF AKTIENGESELLSCHAFT (DE) 2003-05-02 EP disclosed
WO-1987004344-A1 HYDROXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1987-07-30 WO 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-20120196748-A1 PESTICIDAL COMPOSITION DDT, PFAS, ACHE EGFR 4155/4885CYP2C9 1048/4885ATM 4611/4885

“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.