SCHEMBL1896596

SCHEMBL1896596

O=Cc1cccc2c1OCC=CC2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ERN1 O75460 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
CYP2A6 P11509 1/20 0.30

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
SCHEMBL2557256 0.79 LMNA (0.37) MEN1LMNATHRBBLMKMT2A
SCHEMBL4992978 0.75 MEN1 (0.44) MEN1LMNATHRBBLMKMT2A
SCHEMBL4408085 0.73 LMNA (0.42) MEN1LMNATHRBBLMKMT2A
SCHEMBL29519680 0.73 CYP2B6 (0.43) MEN1LMNATHRBBLMKMT2A
SCHEMBL2557254 0.73 CYP2B6 (0.43) MEN1LMNATHRBBLMKMT2A
SCHEMBL29385220 0.72 PARP1 (0.53) MEN1LMNATHRBBLMKMT2A
SCHEMBL734868 0.72 PARP1 (0.53) MEN1LMNATHRBBLMKMT2A
Hydrochloric Acid SCHEMBL30405223 0.71 CYP2B6 (0.43) MEN1LMNATHRBBLMKMT2A
SCHEMBL2061341 0.71 TDP1 (0.40) MEN1KMT2ATDP1ERN1ALDH1A1
SCHEMBL3554338 0.70 HTR7 (0.37) LMNAALDH1A1

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
US-8236789-B2 1-adamantyl azetidin-2-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-07 US disclosed
EP-2322505-A1 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME Kowa Company, Ltd. (JP) 2011-05-18 EP disclosed
US-20100075943-A1 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD., (JP) 2010-03-25 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-20100075943-A1 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD3B1, CYP46A1 MEN1 311/4885LMNA 2573/4885THRB 1150/4885

“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.