SCHEMBL3322589

SCHEMBL3322589

CC[Si](C)(C)CON=C(C)c1ccc(Cl)c(CNC(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
WDR5 P61964 2/20 0.34
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 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
SCHEMBL3322588 1.00 TSHR (0.40) TSHRROCK2ROCK1PPARGPPARA
SCHEMBL14110515 0.91 PPARG (0.37) ROCK2ROCK1PPARGPPARASMN1; SMN2
SCHEMBL14110516 0.91 PPARG (0.37) ROCK2ROCK1PPARGPPARASMN1; SMN2
SCHEMBL3326135 0.90 TSHR (0.42) TSHRROCK2ROCK1PPARGPPARA
SCHEMBL3326140 0.90 TSHR (0.42) TSHRROCK2ROCK1PPARGPPARA
SCHEMBL3324965 0.84 TSHR (0.41) TSHRROCK2ROCK1PPARGPPARA
SCHEMBL3324966 0.84 TSHR (0.41) TSHRROCK2ROCK1PPARGPPARA
SCHEMBL3323353 0.82 TSHR (0.39) TSHRROCK2ROCK1PPARGPPARA
SCHEMBL3323352 0.82 TSHR (0.39) TSHRROCK2ROCK1PPARGPPARA
SCHEMBL14110519 0.81 MAPT (0.37) ROCK2ROCK1PPARGPPARASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9743667-B2 Substituted benzene fungicides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-08-29 US claimed
US-20150335023-A1 SUBSTITUTED BENZENE FUNGICIDES FMC CORPORATION 2015-11-26 US claimed
US-20140323436-A1 SUBSTITUTED BENZENE FUNGICIDES FMC CORPORATION 2014-10-30 US claimed
EP-2129225-B1 SUBSTITUTED BENZENE FUNGICIDES DU PONT (US) 2012-12-05 EP claimed
US-20100120714-A1 SUBSTITUTED BENZENE FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-05-13 US claimed
US-9743667-B2 Substituted benzene fungicides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-08-29 US disclosed
US-9198433-B2 Substituted benzene fungicides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-12-01 US disclosed
US-20150335023-A1 SUBSTITUTED BENZENE FUNGICIDES FMC CORPORATION 2015-11-26 US disclosed
US-20140323436-A1 SUBSTITUTED BENZENE FUNGICIDES FMC CORPORATION 2014-10-30 US disclosed
EP-2129225-B1 SUBSTITUTED BENZENE FUNGICIDES DU PONT (US) 2012-12-05 EP 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 (3 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-20150335023-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 TSHR 1053/4885ROCK2 3310/4885ROCK1 2524/4885
US-20140323436-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 TSHR 1053/4885ROCK2 3310/4885ROCK1 2524/4885
US-20100120714-A1 SUBSTITUTED BENZENE FUNGICIDES NR0B1, CBR3, NR0B2 TSHR 1039/4885ROCK2 3214/4885ROCK1 2500/4885

“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.