SCHEMBL8934663

SCHEMBL8934663

C=C(c1ccccc1)C(OCC)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 4/20 0.38
ATM Q13315 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PGR P06401 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL8934676 0.90 MAPT (0.41) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL8934746 0.83 ALDH1A1 (0.40) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL28451524 0.80 MAOB (0.39) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8934751 0.79 ALDH1A1 (0.34) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL8934679 0.79 MAPT (0.34) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL28451759 0.79 NR1I2 (0.50) MAPTALDH1A1SMN1; SMN2CES2CES1
SCHEMBL28897061 0.78 PTGS1 (0.43) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL23238 0.75 PGR (0.52) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL5168028 0.75 PGR (0.52) MAPTALDH1A1MEN1NPC1KMT2A
SCHEMBL6067660 0.75 MAPT (0.57) MAPTALDH1A1MEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES SALTER-CID LUISA M (US) 2012-07-05 US disclosed
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES SALTER-CID LUISA M (US) 2012-07-05 US disclosed
EP-2283833-A2 Amines and amides for the treatment of diseases LA JOLLA PHARMACEUTICAL CO. (US) 2011-02-16 EP disclosed
US-20070078157-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-04-05 US disclosed
US-20070078157-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-04-05 US disclosed
WO-1996030415-A1 ALKOXY ALLYL (DI)PEROXIDE CHAIN TRANSFER AGENTS AKZO NOBEL N.V. (NL) 1996-10-03 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 (2 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-20070078157-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases VCAM1, AOC2, AOC1 MAPT 1330/4885ALDH1A1 59/4885MEN1 4135/4885
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES VCAM1, AOC2, AOC1 MAPT 1330/4885ALDH1A1 59/4885MEN1 4135/4885

“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.