SCHEMBL17050447

SCHEMBL17050447

Cc1c(Oc2ncc(Br)s2)cccc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.41
ACACA Q13085 2/20 0.33
GRM5 P41594 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33

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
SCHEMBL12475843 0.92 ACACB (0.37) ACACBACACA
SCHEMBL17050448 0.76 ACACB (0.37) ACACBACACAMAPTTDP1MCHR1
SCHEMBL12476873 0.76 SMN1; SMN2 (0.44) MEN1KMT2AMAPT
SCHEMBL12475790 0.76 ACACB (0.37) ACACBACACA
SCHEMBL12475981 0.76 ACACB (0.44) ACACBACACA
SCHEMBL12475551 0.75 P2RX3 (0.47) ACACBMEN1KMT2AL3MBTL1
SCHEMBL1368651 0.75 PTGS1 (0.32) ACACBACACA
SCHEMBL5942875 0.75 ACACB (0.50) ACACBACACA
SCHEMBL12476325 0.75 ALDH1A1 (0.33) ACACBMEN1KMT2AMAPT
SCHEMBL12475857 0.74 ACACB (0.46) ACACBACACA

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 2/4885ACACA 10/4885GRM5 1785/4885

“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.