SCHEMBL10196033

SCHEMBL10196033

CCc1ccc(Br)cc1C1=C(O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.38
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
S100A4 P26447 1/20 0.34
PBRM1 Q86U86 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PARP1 P09874 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
SCHEMBL10194943 0.91 MAOA (0.36) HSD17B1BCL2MCL1S100A4PBRM1
SCHEMBL13262069 0.88 HSD17B1 (0.40) HSD17B1BCL2MCL1S100A4SMN1; SMN2
SCHEMBL19071143 0.88 PBRM1 (0.46) HSD17B1PBRM1LMNAHPGDTSHR
SCHEMBL10196167 0.85 MAOB (0.42) HSD17B1SMN1; SMN2L3MBTL1HPGDTSHR
SCHEMBL10196164 0.81 TSHR (0.39) SMN1; SMN2LMNAHPGDTSHRTDP1
SCHEMBL10196166 0.81 MAPK14 (0.37) LMNAKDM4EPOLBP2RX7
SCHEMBL16256573 0.79 CA1 (0.39) HSD17B1HPGDKDM4EALDH1A1POLB
SCHEMBL11940678 0.79 ESR1 (0.37) BCL2MCL1CA1CA2CA4
SCHEMBL471730 0.79 PBRM1 (0.36) BCL2MCL1S100A4PBRM1SMN1; SMN2
SCHEMBL10195133 0.78 MAOB (0.40) HSD17B1SMN1; SMN2L3MBTL1LMNAHPGD

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 HSD17B1 281/4885BCL2 700/4885MCL1 2198/4885

“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.