SCHEMBL2399010

SCHEMBL2399010

CCCCNCCB(c1ccccc1)C(OC(B(CCNCCCC)c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
CALM1 P0DP23 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 1/20 0.34
PAX8 Q06710 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
NAAA Q02083 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2399694 0.78 KDM4E (0.41) SIGMAR1ALDH1A1POLBMAPTGRIN1
SCHEMBL1890145 0.71 SIGMAR1 (0.53) SIGMAR1ALDH1A1POLBMAPTGRIN1
SCHEMBL11584396 0.69 HTR2A (0.63) SIGMAR1ALDH1A1POLBMAPTGRIN1
Toluene SCHEMBL5879928 0.68 SIGMAR1 (0.57) SIGMAR1ALDH1A1LMNADRD2DRD4
SCHEMBL9973173 0.67 GRIN1 (0.72) SIGMAR1ALDH1A1POLBMAPTGRIN1
SCHEMBL11922992 0.66 KCNH2 (0.49) SIGMAR1ALDH1A1POLBMAPTGRIN1
Phenylpropanol SCHEMBL27604041 0.66 LMNA (0.68) SIGMAR1ALDH1A1POLBMAPTGRIN1
Toluene SCHEMBL19468536 0.66 SIGMAR1 (0.55) SIGMAR1ALDH1A1LMNADRD2DRD4
Biphenyl SCHEMBL7742046 0.66 SIGMAR1 (0.59) SIGMAR1ALDH1A1KDM4EDRD2DRD4
SCHEMBL9191899 0.65 ALDH1A1 (0.55) SIGMAR1ALDH1A1POLBMAPTGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP claimed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US claimed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US claimed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP claimed
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP disclosed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US disclosed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US disclosed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 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-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 PCSK9 4696/4885SIGMAR1 269/4885ALDH1A1 4802/4885

“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.