SCHEMBL86601

SCHEMBL86601

Cc1cc(CCCO)cs1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.38
DAO P14920 2/20 0.36
CYP4A11 Q02928 3/20 0.36
CYP4F2 P78329 2/20 0.36
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CA2 P00918 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
BCHE P06276 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
PLA2G7 Q13093 1/20 0.31
LTB4R Q15722 2/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL13763074 0.87
SCHEMBL1637851 0.81 HPGD (0.45) DAOPOLBKDM4ECA2MAPT
SCHEMBL79332 0.79 POLB (0.33) DAOPOLBMAPTTP53
SCHEMBL9769261 0.79 PTGS2 (0.45) KDM4ETP53NPSR1NPC1HPGD
SCHEMBL2735670 0.78
SCHEMBL2607172 0.78 PTGS2 (0.47) KDM4ETP53
SCHEMBL18382236 0.78 PTGS2 (0.47) KDM4ETP53
SCHEMBL19304397 0.78 PTGS2 (0.47) KDM4ETP53
SCHEMBL10587640 0.78 PTGS2 (0.47) KDM4ETP53
SCHEMBL15396902 0.78 PTGS2 (0.47) KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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 (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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C TNKS2 4834/4885DAO 755/4885CYP4A11 41/4885

“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.