SCHEMBL10225614

SCHEMBL10225614

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CACNA1B Q00975 7/20 0.33
APBA1 Q02410 7/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BCL2 P10415 1/20 0.30
MCL1 Q07820 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL18874111 1.00 ESR1 (0.34) ESR1ESR2CACNA1BAPBA1LMNA
SCHEMBL10225615 0.82 MALT1 (0.32) ESR1ESR2LMNAALDH1A1HPGD
SCHEMBL18873954 0.82 MALT1 (0.32) ESR1ESR2LMNAALDH1A1HPGD
SCHEMBL18874219 0.82 ACACB (0.32) CACNA1BAPBA1LMNAMAPK1ALDH1A1
SCHEMBL6727379 0.82 ACACB (0.32) CACNA1BAPBA1LMNAMAPK1ALDH1A1
SCHEMBL2122122 0.74 CACNA1B (0.36) ESR1ESR2CACNA1BAPBA1LMNA
SCHEMBL18971714 0.72 SMN1; SMN2 (0.35) ESR1ESR2LMNAMAPK1ALDH1A1
SCHEMBL13220451 0.72 SMN1; SMN2 (0.35) ESR1ESR2LMNAMAPK1ALDH1A1
SCHEMBL15800457 0.71 MALT1 (0.32) LMNAHPGD
SCHEMBL10121047 0.71 CA1 (0.36) ESR1ESR2LMNAMAPK1BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 EP disclosed
US-8940913-B2 Herbicides SYNGENTA CROP PROTECTION, LLC (US) 2015-01-27 US disclosed
US-8940913-B2 Herbicides SYNGENTA CROP PROTECTION, LLC (US) 2015-01-27 US disclosed
EP-2185564-B1 Herbicidally active cyclopentanedione compounds and derivatives thereof SYNGENTA LTD (GB) 2014-06-18 EP disclosed
US-8754242-B2 Herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-06-17 US disclosed
US-8754242-B2 Herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-06-17 US disclosed
US-20120142529-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2012-06-07 US disclosed
US-20120142529-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2012-06-07 US disclosed
US-20120094832-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-04-19 US disclosed
US-20120094832-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-04-19 US disclosed
WO-2009019005-A2 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 WO disclosed
WO-2009019015-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 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 (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-20120142529-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ESR1 2091/4885ESR2 1787/4885CACNA1B 2450/4885
US-20120094832-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 ESR1 2374/4885ESR2 2024/4885CACNA1B 2425/4885

“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.