SCHEMBL18494372

SCHEMBL18494372

BOc1ccccc1C#Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 2/20 0.55
MEN1 O00255 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
HPGD P15428 2/20 0.55
CYP2C19 P33261 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
APP P05067 1/20 0.50
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
RAB9A P51151 1/20 0.43
FFAR1 O14842 4/20 0.42
DHFR P00374 1/20 0.40

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
SCHEMBL3839249 0.83 MAPT (0.59) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL2774016 0.79 FFAR1 (0.60) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL6742524 0.78 MAPT (0.53) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL2114742 0.77 APP (0.75) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL5871989 0.77 APP (0.75) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL9355648 0.75 MAPT (0.50) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL10865047 0.75 CYP2C9 (0.50) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL7061161 0.75 ALDH1A1 (0.66) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL22954312 0.75 MAPT (0.50) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL28541058 0.75 MAPT (0.50) MAPTALDH1A1NPC1MEN1CYP1A2

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-20170037062-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-09 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-20170037062-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 MAPT 3745/4885ALDH1A1 1921/4885NPC1 118/4885

“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.