SCHEMBL471730

SCHEMBL471730

CCc1ccc(Br)cc1/C1=C(\O)C[C@H]2CC[C@H](CC2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AR P10275 1/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
MAPK1 P28482 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
P2RX7 Q99572 1/20 0.31
CES1 P23141 1/20 0.31
METAP1 P53582 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
S100A4 P26447 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
SCHEMBL10244041 0.85 PBRM1 (0.35) PBRM1SMN1; SMN2LMNAHPGDTSHR
SCHEMBL10266675 0.84 PBRM1 (0.35) PBRM1SMN1; SMN2LMNAHPGDTSHR
SCHEMBL10246765 0.80 HSD17B1 (0.34)
SCHEMBL468935 0.80 ACACB (0.36) SMN1; SMN2EDNRBEDNRAALDH1A1
SCHEMBL10244074 0.79 PGR (0.36)
SCHEMBL10196033 0.79 HSD17B1 (0.38) PBRM1SMN1; SMN2LMNAHPGDTSHR
SCHEMBL471733 0.77 MAPK1 (0.31) MAPK1
SCHEMBL10194943 0.77 MAOA (0.36) PBRM1SMN1; SMN2LMNAHPGDTSHR
SCHEMBL10245513 0.77 EDNRB (0.38) EDNRBEDNRAP2RX7
SCHEMBL10244930 0.77 ACACB (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US 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 PBRM1 4155/4885SMN1; SMN2 2952/4885LMNA 4657/4885

“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.