SCHEMBL431060

SCHEMBL431060

CCc1ccc(Br)cc1C1=C(O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
ATM Q13315 2/20 0.36
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
MAPK1 P28482 1/20 0.31
CCR1 P32246 1/20 0.31
CCR2 P41597 1/20 0.31
KMT2A Q03164 1/20 0.30
CUL4A Q13619 1/20 0.30
P2RX7 Q99572 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
SCHEMBL10196019 1.00 L3MBTL1 (0.36) L3MBTL1ATMEDNRBEDNRALMNA
SCHEMBL19070679 1.00 L3MBTL1 (0.36) L3MBTL1ATMEDNRBEDNRALMNA
SCHEMBL10196008 0.93 EDNRB (0.33) L3MBTL1EDNRBEDNRALMNAHPGD
SCHEMBL431243 0.93 EDNRB (0.33) L3MBTL1EDNRBEDNRALMNAHPGD
SCHEMBL19070860 0.90 ANPEP (0.35) ATMHPGDKMT2A
SCHEMBL10196030 0.85 EDNRB (0.37) L3MBTL1EDNRBEDNRALMNAHPGD
SCHEMBL19070946 0.85 EDNRB (0.37) L3MBTL1EDNRBEDNRALMNAHPGD
SCHEMBL432544 0.85 EDNRB (0.37) L3MBTL1EDNRBEDNRALMNAHPGD
SCHEMBL16256600 0.83 CYP24A1 (0.38) KMT2A
SCHEMBL432171 0.82 ALDH1A1 (0.33) L3MBTL1EDNRBEDNRALMNAHPGD

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 4 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-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 L3MBTL1 1453/4885ATM 3729/4885EDNRB 4122/4885

“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.