SCHEMBL921335

SCHEMBL921335

CCCOc1cccc(Oc2ccc(CNC(=O)c3ccc(COC)nc3N)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
ROCK1 Q13464 2/20 0.42
ROCK2 O75116 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ACACB O00763 2/20 0.41
ACACA Q13085 2/20 0.41
TSHR P16473 1/20 0.41
KLKB1 P03952 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
PPARD Q03181 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL922948 0.96 FAAH (0.42) HDAC1ROCK1ACACBACACAKLKB1
SCHEMBL922175 0.93 KLKB1 (0.44) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL920594 0.93 TSHR (0.44) HDAC1TSHREGLN1LMNASMN1; SMN2
SCHEMBL922036 0.90 KDM4E (0.48) HDAC1ROCK1ROCK2PPARGPPARA
SCHEMBL920719 0.89 SMN1; SMN2 (0.47) EGLN1LMNASMN1; SMN2HPGD
SCHEMBL919614 0.88 HPGD (0.43) ROCK1ROCK2PPARGPPARAPPARD
SCHEMBL921541 0.88 HPGD (0.44) ROCK1ROCK2PPARGPPARAPPARD
SCHEMBL922051 0.87 HDAC1 (0.45) HDAC1ROCK1ROCK2CYP3A4CYP2D6
SCHEMBL921782 0.87 MAPK14 (0.45) CYP3A4CYP2D6CYP2C9KLKB1PPARG
SCHEMBL921404 0.87 ALDH1A1 (0.42) ROCK1ROCK2PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 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 (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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 HDAC1 166/4885ROCK1 2455/4885ROCK2 3686/4885

“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.