SCHEMBL25836140

SCHEMBL25836140

BC(c1cc(-c2ccccc2)ncc1C(B)(B)C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ IDO1 P14902 3/20 0.32
▸ TDO2 P48775 3/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ASIC3 Q9UHC3 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
SCHEMBL23912221 0.83 LDHA (0.40) LDHANPC1RAB9AGSK3AGSK3B
SCHEMBL24700060 0.81 LDHA (0.36) LDHANPC1RAB9AGSK3AGSK3B
SCHEMBL26050172 0.80 LDHA (0.48) LDHANPC1RAB9AGSK3AGSK3B
SCHEMBL23817590 0.78 LDHA (0.36) LDHANPC1RAB9AGSK3AGSK3B
SCHEMBL26260936 0.77 LDHA (0.38) LDHANPC1RAB9AGSK3AGSK3B
SCHEMBL26009607 0.77 LDHA (0.35) LDHANPC1RAB9AGSK3AGSK3B
SCHEMBL25137952 0.76 ACHE (0.36) LDHANPC1RAB9AGSK3AGSK3B
SCHEMBL26354813 0.74 LDHA (0.35) LDHANPC1RAB9AGSK3AGSK3B
SCHEMBL25883999 0.71 LDHA (0.40) LDHANPC1RAB9AGSK3AGSK3B
SCHEMBL18729605 0.69 LDHA (0.46) LDHANPC1RAB9AGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11706980-B2 Host materials for electroluminescent devices UNIVERSAL DISPLAY CORPORATION (US) 2023-07-18 — — US 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-11706980-B2 Host materials for electroluminescent devices CRHR1, CRHR2, CRH LDHA 1917/4885NPC1 3828/4885RAB9A 1655/4885

“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.

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