SCHEMBL3712470

SCHEMBL3712470

COC(=O)C1=COC(Cc2ccccc2)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN1 P18031 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL230546 0.83 CTRB1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL133894 0.81 MEN1 (0.36) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL5004808 0.80 PLA2G10 (0.39) TSHRLMNAKDM4EALDH1A1CYP3A4
SCHEMBL388934 0.80 ALDH1A1 (0.36) LMNAALDH1A1
SCHEMBL5175535 0.78 L3MBTL1 (0.44) TSHRNPC1LMNASMN1; SMN2KDM4E
SCHEMBL5742539 0.78 PTPN1 (0.41) TSHRLMNAHPGDSMN1; SMN2PTPN1
SCHEMBL4258317 0.78 CTRB1 (0.33)
SCHEMBL703488 0.76 POLB (0.44) CA2RAB9ALMNAKDM4EALDH1A1
SCHEMBL5007271 0.75 KDM4E (0.37) TSHRNPC1LMNASMN1; SMN2KDM4E
SCHEMBL702115 0.74 BIRC2 (0.45) TSHRRAB9ALMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238553-A1 NOVEL BENZODIOXOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-09-20 US disclosed
WO-2010086278-A1 NOVEL BENZODIOXOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-08-05 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-20120238553-A1 NOVEL BENZODIOXOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE CHRNA10, CHRNA7, CHRNA6 TSHR 371/4885PSEN1 1413/4885PSEN2 1705/4885

“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.