SCHEMBL17050487

SCHEMBL17050487

COc1ccc(Oc2ccc(I)cc2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HTR2A P28223 4/20 0.47
PNLIP P16233 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KCNH2 Q12809 3/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
DYRK1A Q13627 1/20 0.40
APP P05067 3/20 0.40

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
SCHEMBL29084767 0.79 MEN1 (0.43) SLC6A2SLC6A3PNLIPAPP
SCHEMBL2787520 0.79 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR2APNLIP
SCHEMBL197088 0.78 CA12 (0.62) SLC6A4SLC6A2SLC6A3HTR2ACA12
SCHEMBL29587997 0.78 CA12 (0.62) SLC6A4SLC6A2SLC6A3HTR2ACA12
SCHEMBL2788214 0.78 AR (0.55) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL2540071 0.78 ST14 (0.50) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL22059520 0.77 CA12 (0.50) SLC6A4SLC6A2SLC6A3HTR2ACA12
SCHEMBL6002589 0.77 CA12 (0.60) SLC6A4SLC6A2SLC6A3HTR2ACA12
SCHEMBL14586636 0.76 ACHE (0.50) SLC6A4SLC6A2SLC6A3HTR2APNLIP
SCHEMBL11244459 0.75 STK39 (0.46) SLC6A2SLC6A3PNLIPAPP

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 3519/4885SLC6A2 1939/4885SLC6A3 3473/4885

“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.