SCHEMBL1796551

SCHEMBL1796551

COC(=O)c1ccc(SCCCCCBr)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PTGS2 P35354 2/20 0.46
RAB9A P51151 2/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP4A11 Q02928 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CYP4F2 P78329 1/20 0.43
MEN1 O00255 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL15191795 0.98 MAPT (0.49) MAPTKMT2AALDH1A1PTGS2RAB9A
SCHEMBL3712221 0.95 MAPT (0.49) MAPTKMT2AALDH1A1RAB9ACA1
SCHEMBL6617469 0.89 MAPT (0.51) MAPTKMT2AALDH1A1RAB9ACA1
SCHEMBL10498875 0.88 MAPT (0.49) MAPTKMT2AALDH1A1RAB9ATHRA
SCHEMBL10498140 0.88 MAPT (0.49) MAPTKMT2AALDH1A1RAB9ATHRA
SCHEMBL22438891 0.88 THRA (0.58) MAPTKMT2AALDH1A1RAB9ATHRA
SCHEMBL17517566 0.88 CYP4A11 (0.58) MAPTKMT2AALDH1A1RAB9ATHRA
SCHEMBL10366608 0.86 KMT2A (0.53) MAPTKMT2AALDH1A1RAB9ATHRA
SCHEMBL25224789 0.84 KMT2A (0.52) MAPTKMT2AALDH1A1RAB9ACA1
SCHEMBL15191535 0.84 MAPT (0.47) MAPTKMT2AALDH1A1PTGS2RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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 (2 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-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CCR5, CXCL12 MAPT 3584/4885KMT2A 3576/4885ALDH1A1 305/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 MAPT 3734/4885KMT2A 3544/4885ALDH1A1 334/4885

“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.