SCHEMBL2120447

SCHEMBL2120447

CCc1cc(Br)ccc1C1C(=O)C2C3CCC(O3)C2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
TAAR1 Q96RJ0 1/20 0.33
EDNRB P24530 2/20 0.33
EDNRA P25101 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
PPM1B O75688 1/20 0.32
PPP1CC P36873 1/20 0.32
TFPI2 P48307 1/20 0.32
RAB9A P51151 1/20 0.32
PPP5C P53041 1/20 0.32
PPP1CA P62136 1/20 0.32
PMP22 Q01453 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL10266665 1.00 MAPK1 (0.38) MAPK1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL2121466 0.89 MAPK1 (0.36) MAPK1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL407762 0.89 MAPK1 (0.36) MAPK1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL21840205 0.80 ALDH1A1 (0.39) LMNAKDM4EPPP1CAALDH1A1MAPT
SCHEMBL21938657 0.80 ALDH1A1 (0.39) LMNAKDM4EPPP1CAALDH1A1MAPT
SCHEMBL20320102 0.80 ALDH1A1 (0.39) LMNAKDM4EPPP1CAALDH1A1MAPT
SCHEMBL6727873 0.79 TAAR1 (0.41) SMN1; SMN2TAAR1EDNRBEDNRAALDH1A1
SCHEMBL18874266 0.79 KDM1A (0.36) KDM1A
SCHEMBL6727385 0.79 KDM1A (0.36) KDM1A
SCHEMBL18874001 0.79 TAAR1 (0.41) SMN1; SMN2TAAR1EDNRBEDNRAALDH1A1

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-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
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-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

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 MAPK1 2263/4885SMN1; SMN2 2952/4885LMNA 4657/4885
US-20120094832-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 MAPK1 2045/4885SMN1; SMN2 2924/4885LMNA 4671/4885

“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.