SCHEMBL10196014

SCHEMBL10196014

CCc1ccc(Br)cc1C1=C(O)[C@H]2C3CCC(C3)[C@H]2C1=O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
MAPK1 P28482 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
P2RX7 Q99572 1/20 0.30
STK17B O94768 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
SCHEMBL432171 1.00 ALDH1A1 (0.33) ALDH1A1EDNRBEDNRALMNASMN1; SMN2
SCHEMBL10196030 0.95 EDNRB (0.37) ALDH1A1EDNRBEDNRALMNASMN1; SMN2
SCHEMBL19070946 0.95 EDNRB (0.37) ALDH1A1EDNRBEDNRALMNASMN1; SMN2
SCHEMBL432544 0.95 EDNRB (0.37) ALDH1A1EDNRBEDNRALMNASMN1; SMN2
SCHEMBL19071228 0.90 SLC6A2 (0.36) ALDH1A1GAAMEN1KMT2ASLC6A2
SCHEMBL10196011 0.90 SLC6A2 (0.36) ALDH1A1GAAMEN1KMT2ASLC6A2
SCHEMBL10196156 0.88 MAOA (0.39) ALDH1A1SMN1; SMN2L3MBTL1HPGDTSHR
SCHEMBL13190331 0.88 MAOA (0.39) ALDH1A1SMN1; SMN2L3MBTL1HPGDTSHR
SCHEMBL10196022 0.84 ANPEP (0.36)
SCHEMBL19070623 0.84 ANPEP (0.36)

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 ALDH1A1 14/4885EDNRB 4122/4885EDNRA 4159/4885

“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.