SCHEMBL17050461

SCHEMBL17050461

COCc1ccc(Oc2ccc(Br)cn2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
ACACB O00763 3/20 0.41
S1PR4 O95977 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CSNK2A1 P68400 2/20 0.37
KDM4E B2RXH2 3/20 0.36
CCR5 P51681 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
HPGD P15428 1/20 0.35
GBA1 P04062 1/20 0.35

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
SCHEMBL17050471 0.84 ACACB (0.55) ACACBCSNK2A1KDM4E
SCHEMBL17050816 0.80 L3MBTL1 (0.42) S1PR4L3MBTL1KDM4EOXTRHPGD
SCHEMBL17050452 0.80 MAPK8 (0.43) SLC6A4ACACBS1PR4L3MBTL1KDM4E
SCHEMBL17050451 0.79 L3MBTL1 (0.41) ACACBL3MBTL1KDM4EHPGD
SCHEMBL17050453 0.77 ACACB (0.53) SLC6A4ACACBL3MBTL1KDM4EHPGD
SCHEMBL17050467 0.76 KDM4E (0.43) L3MBTL1KDM4E
SCHEMBL17050814 0.74 ACACB (0.52) ACACBL3MBTL1HPGD
SCHEMBL17050815 0.73 L3MBTL1 (0.48) ACACBL3MBTL1MRGPRX4HPGD
SCHEMBL17050822 0.73 ACACB (0.42) ACACBKDM4E
SCHEMBL17050455 0.73 ACACB (0.54) SLC6A4ACACBS1PR4L3MBTL1KDM4E

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 SLC6A4 3519/4885ACACB 2/4885S1PR4 3402/4885

“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.