SCHEMBL3274036

SCHEMBL3274036

CC(B(c1cc[c]cc1)c1ccccc1)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3274668 0.74 TAAR1 (0.33)
SCHEMBL17698457 0.74 ORAI1 (0.36) KDM4EALDH1A1
SCHEMBL3274039 0.66 TAAR1 (0.38) KDM4EALDH1A1
SCHEMBL21757942 0.65 ORAI1 (0.41)
SCHEMBL3275714 0.65 TRPV6 (0.70)
SCHEMBL16720604 0.64 CHRNA7 (0.46) KDM4EALDH1A1
SCHEMBL17698461 0.63 ORAI1 (0.36) KDM4EALDH1A1
Trimethylammonium SCHEMBL27796925 0.62 ALDH1A1 (0.47) KDM4EALDH1A1
SCHEMBL10454943 0.62 SLC6A2 (0.41) KDM4EALDH1A1
SCHEMBL16760880 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US claimed
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 KDM4E 3037/4885ALDH1A1 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.