SCHEMBL17050469

SCHEMBL17050469

Clc1cc(N2CCCC2)ccc1Oc1ccc(Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
KCNH2 Q12809 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
OXTR P30559 1/20 0.35
MMP13 P45452 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 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
SCHEMBL17050816 0.76 L3MBTL1 (0.42) ALDH1A1LMNAPOLBTSHRHTT
SCHEMBL17050467 0.75 KDM4E (0.43) ALDH1A1LMNAPOLBTSHRHTT
SCHEMBL17050451 0.75 L3MBTL1 (0.41) ALDH1A1LMNAPOLBTSHRHTT
SCHEMBL22453733 0.73 LMNA (0.39) ALDH1A1LMNAPOLBTSHRHTT
SCHEMBL17050452 0.73 MAPK8 (0.43) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL30700673 0.71 KMT2A (0.60) ALDH1A1LMNAPOLBHTTMEN1
SCHEMBL28714581 0.71 KMT2A (0.60) ALDH1A1LMNAPOLBHTTMEN1
SCHEMBL29479486 0.71 KMT2A (0.60) ALDH1A1LMNAPOLBHTTMEN1
SCHEMBL17050453 0.71 ACACB (0.53) ALDH1A1POLBTSHRKCNH2MEN1
SCHEMBL17050535 0.71 ACACB (0.69)

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 ALDH1A1 408/4885LMNA 4426/4885POLB 1992/4885

“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.