SCHEMBL3254228

SCHEMBL3254228

CCc1sc(-c2ccc(Cl)cc2)nc1C1=C(OC(=O)C2CC2)C2C3CCC(O3)C2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 3/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ AGER Q15109 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ PPARD Q03181 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
SCHEMBL13058564 1.00 PTGDR2 (0.38) PTGDR2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13058559 1.00 PTGDR2 (0.38) PTGDR2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13058563 0.89 PTGDR2 (0.37) PTGDR2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10238180 0.83 PTGDR2 (0.39) PTGDR2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13058569 0.77 MEN1 (0.34) PTGDR2ALDH1A1KDM4EHPGDMEN1
SCHEMBL609497 0.72 PTGDR2 (0.39) PTGDR2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13058567 0.71 KDM4E (0.35) ALDH1A1KDM4EMAPT
SCHEMBL3252041 0.70 HRH3 (0.39) PTGDR2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13058481 0.70 HRH3 (0.39) PTGDR2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3749201 0.69 HRH3 (0.38) PTGDR2ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188294-B1 TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES SYNGENTA LTD (GB) 2015-03-18 — — EP disclosed
US-8530667-B2 Herbicides SYNGENTA LIMITED (GB) 2013-09-10 — — US disclosed
US-20100298140-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 — — US disclosed
EP-2188294-A2 TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES Syngenta Limited (GB) 2010-05-26 — — EP disclosed
WO-2009030450-A2 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-03-12 — — 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-20100298140-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 PTGDR2 2873/4885ALDH1A1 10/4885CYP1A2 68/4885

“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.

Send feedback