SCHEMBL1758994

SCHEMBL1758994

Brc1ccc2c(c1)CC1(CO2)OCCO1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
BACE1 P56817 9/20 0.35
APP P05067 1/20 0.34
AHR P35869 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TDP2 O95551 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 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
SCHEMBL11926942 0.80 GAA (0.37) MAPTHTTSMN1; SMN2NPC1GAA
SCHEMBL9288562 0.77 APP (0.41) LMNAMAPTHTTBLMAPP
SCHEMBL16995784 0.76 BACE1 (0.38) LMNAMAPTHTTBLMBACE1
SCHEMBL30148868 0.73 BACE1 (0.38) LMNAMAPTHTTBLMBACE1
SCHEMBL28922769 0.73 BACE1 (0.38) LMNAMAPTHTTBLMBACE1
SCHEMBL30148835 0.73 BACE1 (0.41) LMNAMAPTHTTBLMBACE1
SCHEMBL8101765 0.72 LMNA (0.35) LMNAMAPTHTTBLMBACE1
SCHEMBL6652414 0.71 APP (0.40) BACE1APPAHRSMN1; SMN2TDP2
SCHEMBL3990720 0.71 APP (0.40) BACE1APPAHRSMN1; SMN2TDP2
SCHEMBL7920247 0.70 BACE1 (0.35) LMNAMAPTHTTBLMBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921360-B2 Heterobicycle-substituted azolyl benzene fungicides E. I. DU PONT DE NEMOURS AND COMPANY 2014-12-30 US disclosed
EP-2493880-B1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES DU PONT (US) 2013-09-18 EP disclosed
EP-2493880-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E. I. du Pont de Nemours and Company (US) 2012-09-05 EP disclosed
US-20120202815-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-08-09 US disclosed
WO-2011059619-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 WO 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-20120202815-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES CBR3, CBR1, CYP2S1 LMNA 4756/4885MAPT 4549/4885HTT 4625/4885

“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.