SCHEMBL5220133

SCHEMBL5220133

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.43
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ABCB1 P08183 1/20 0.38
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.37
PTGER4 P35408 2/20 0.37
PTGER3 P43115 2/20 0.37
PTGER2 P43116 2/20 0.37

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
SCHEMBL3218718 0.82 AKR1B10 (0.52) CA4MMP1MMP2MMP9
SCHEMBL490481 0.80 CTRB1 (0.36)
SCHEMBL7654658 0.78 APP (0.39) LMNAALDH1A1KDM4EHPGDNPC1
SCHEMBL7661260 0.78 MAOB (0.41) LMNAALDH1A1CYP2C19KDM4EHPGD
SCHEMBL7654846 0.78 KDM4E (0.50) KDM4ENFKB1NPC1RAB9AMAPT
SCHEMBL7666636 0.78 AR (0.58) LMNAALDH1A1KDM4EPKMNPC1
SCHEMBL7664988 0.78 AR (0.52) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL7666145 0.78 MAOB (0.58) ALDH1A1CYP2C19MAPT
SCHEMBL7657806 0.78 AR (0.51) LMNAALDH1A1KDM4EHPGDMAPT
SCHEMBL7718147 0.76 CTRB1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474419-B1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK AS (DK) 2007-09-05 EP disclosed
US-7101898-B2 For therapy of allergic rhinitis, ulcer or anorexia, diabetes, Alzheimer's disease, narcolepsy or attention deficit disorder NOVO NORDISK A/S (DK) 2006-09-05 US disclosed
US-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HIGH POINT PHARMACEUTICALS, LLC 2003-10-16 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-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HRH3, HRH2, HRH4 HCAR2 6/4885HDAC3 1083/4885TNKS 2133/4885

“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.