SCHEMBL10196076

SCHEMBL10196076

CCc1ccc(Oc2ccc(Br)cc2Cl)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 2/20 0.34
PTPN1 P18031 2/20 0.34
PTPN2 P17706 1/20 0.34
PTPN11 Q06124 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 3/20 0.31

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
SCHEMBL19070825 1.00 HTR2A (0.34) HTR2ASLC6A4KCNH2PTPN1PTPN2
SCHEMBL10196169 0.91 FFAR1 (0.38) HTR2ASLC6A4KCNH2PTGDR2LMNA
SCHEMBL19070682 0.90 KDM4E (0.32) NPSR1KMT2AHPGDMEN1ALDH1A1
SCHEMBL10196067 0.90 KDM4E (0.32) NPSR1KMT2AHPGDMEN1ALDH1A1
SCHEMBL10196079 0.89 P2RX7 (0.31) KCNH2
SCHEMBL19071446 0.89 P2RX7 (0.31) KCNH2
SCHEMBL10196075 0.88 S1PR1 (0.35) ALDH1A1
SCHEMBL19071341 0.88 S1PR1 (0.35) ALDH1A1
SCHEMBL10196145 0.88 HTR2A (0.35) HTR2ASLC6A4KCNH2PTPN1PTPN2
SCHEMBL19070981 0.88 HTR2A (0.35) HTR2ASLC6A4KCNH2PTPN1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HTR2A 1320/4885SLC6A4 1443/4885KCNH2 1805/4885

“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.