SCHEMBL13220451

SCHEMBL13220451

CCc1ccc(Br)cc1C1=C(O)[C@H]2CC[C@H](CC2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
MAPK1 P28482 1/20 0.33
P2RX7 Q99572 1/20 0.32
METAP1 P53582 1/20 0.32
PBRM1 Q86U86 1/20 0.32
S100A4 P26447 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 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
SCHEMBL18971714 1.00 SMN1; SMN2 (0.35) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL18971525 0.92 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL10194975 0.92 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL18971717 0.81 SMN1; SMN2 (0.33) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL432544 0.81 EDNRB (0.37) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL10196030 0.81 EDNRB (0.37) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL13220455 0.81 SMN1; SMN2 (0.33) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL19070946 0.81 EDNRB (0.37) SMN1; SMN2LMNAHPGDTSHRL3MBTL1
SCHEMBL10195195 0.80 MAOA (0.38)
SCHEMBL19070679 0.79 L3MBTL1 (0.36) SMN1; SMN2LMNAHPGDTSHRL3MBTL1

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-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
US-8828908-B2 Herbicidally active bicyclic 1,3-dione compounds SYNGENTA LIMITED (GB) 2014-09-09 US disclosed
US-8828908-B2 Herbicidally active bicyclic 1,3-dione compounds SYNGENTA LIMITED (GB) 2014-09-09 US disclosed
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 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-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS DDT, CYP1B1, CYP1A1 SMN1; SMN2 3473/4885LMNA 3240/4885HPGD 1431/4885

“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.