SCHEMBL17050442

SCHEMBL17050442

N#Cc1cc(OCC2CC2)ccc1Oc1ncc(Br)s1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.43
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
ACACA Q13085 4/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
SCN9A Q15858 1/20 0.37
XDH P47989 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL12476320 0.84 ACACB (0.56) ACACBACACACYP2C9CYP2C19
SCHEMBL17050439 0.84 ACACB (0.45) ACACBACACACYP2C9CYP2C19
SCHEMBL17050438 0.84 ACACB (0.43) ACACBACACACYP2C9CYP2C19
SCHEMBL17050444 0.81 ACACB (0.44) ACACBMAOBMAOAACACACYP2C9
SCHEMBL12476184 0.80 ACACB (0.49) ACACBACACACYP2C9CYP2C19NPC1
SCHEMBL12475958 0.79 ACACB (0.38) ACACBACACACYP2C9CYP2C19NPC1
SCHEMBL17050441 0.77 ACACB (0.47) ACACBACACACYP2C9CYP2C19
SCHEMBL17050511 0.73 ACACB (0.79) ACACBACACACYP2C9CYP2C19
SCHEMBL1697583 0.73 SLC6A2 (0.48) ACACBMAOBMAOASLC6A2SLC6A4
SCHEMBL17050448 0.71 ACACB (0.37) ACACBACACACYP2C9CYP2C19

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-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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 (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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 ACACB 2/4885MAOB 339/4885MAOA 804/4885

“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.