SCHEMBL16660952

SCHEMBL16660952

Oc1ccc(C2=CCC3(CC2)OCCO3)nc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
SUV39H2 Q9H5I1 2/20 0.33
BTK Q06187 2/20 0.30

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
SCHEMBL20428739 0.83 CCR1 (0.42) IKBKETBK1SUV39H2BTK
SCHEMBL25198156 0.83 HDAC4 (0.35) IKBKETBK1SUV39H2BTK
SCHEMBL25224516 0.80 NPSR1 (0.36) IKBKETBK1SUV39H2BTK
SCHEMBL629835 0.79 PIK3CD (0.36) IKBKETBK1SUV39H2BTK
SCHEMBL3542327 0.78 CYP1A2 (0.39) SUV39H2
SCHEMBL4480745 0.77 SPR (0.43) SUV39H2BTK
SCHEMBL746391 0.77 KDM4E (0.38) IKBKETBK1SUV39H2BTK
SCHEMBL6269678 0.76 P4HTM (0.40)
SCHEMBL16680799 0.75 PIK3CA (0.37) IKBKETBK1SUV39H2BTK
SCHEMBL25547740 0.75 TDP1 (0.52) IKBKETBK1SUV39H2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 US disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
EP-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 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 (3 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 IKBKE 986/4885TBK1 3754/4885SUV39H2 321/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 IKBKE 986/4885TBK1 3754/4885SUV39H2 321/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 IKBKE 986/4885TBK1 3754/4885SUV39H2 321/4885

“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.