SCHEMBL338540

SCHEMBL338540

CCC(=O)Cc1ccc(OC(=O)NC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.43
LIPE Q05469 2/20 0.41
ELANE P08246 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
FAAH O00519 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.40
PDE4A P27815 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
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
SCHEMBL9326256 0.82 RAB9A (0.63) RAB9AELANECYP1A2TDP1ACHE
SCHEMBL4539616 0.81 LMNA (0.52) KMT2AELANEKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12893245 0.80 ALDH1A1 (0.51) RAB9AKMT2AHTTACHEMMP2
SCHEMBL9325570 0.79 THRB (0.60) RAB9AKMT2AELANEFAAHSMN1; SMN2
SCHEMBL25192285 0.79 PPARG (0.47) RAB9AKMT2AELANEHTTCYP1A2
SCHEMBL11712095 0.77 RAB9A (0.45) RAB9AKMT2AELANEHTTCYP1A2
SCHEMBL19716467 0.77 RAB9A (0.45) RAB9AKMT2AELANEHTTCYP1A2
SCHEMBL7153605 0.77 HTT (0.61) KMT2AHTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2783605 0.77 PLK1 (0.58) FAAHALDH1A1
SCHEMBL13167099 0.76 KMT2A (0.53) RAB9AKMT2AELANEHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097603-B2 Compositions for controlling parasites on animals BAYER ANIMAL HEALTH GMBH (DE) 2012-01-17 US disclosed
US-20060252728-A1 Compositions for controlling parasites on animals BAYER HEALTHCARE AG (DE) 2006-11-09 US disclosed
US-20060111323-A1 Use of polysiloxanes having quaternary ammonium groups as formulation auxiliaries, and compositions comprising them BAYER ANIMAL HEALTH GMBH (DE) 2006-05-25 US disclosed
US-7025978-B1 Use of polysiloxanes containing quarternary amino groups as formulation auxiliary agents, and agents containing the same BAYER AG (DE) 2006-04-11 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-20060252728-A1 Compositions for controlling parasites on animals MELK, DEK, CUTA RAB9A 4639/4885KMT2A 3130/4885LIPE 3554/4885
US-20060111323-A1 Use of polysiloxanes having quaternary ammonium groups as formulation auxiliaries, and compositions comprising them PIGS, PSMD9, PSMC2 RAB9A 1789/4885KMT2A 549/4885LIPE 4690/4885

“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.