SCHEMBL2118178

SCHEMBL2118178

C[C@]12C[C@]1(c1ccccc1)COC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
BACE1 P56817 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
HSD11B1 P28845 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL2610425 1.00 MMP2 (0.39) MMP2MMP9BACE1CHRNB2SLC6A2
SCHEMBL576540 0.73 BRD4 (0.41) MMP2MMP9MEN1KMT2ACYP1A2
SCHEMBL13398136 0.72 AKR1C1 (0.37) MEN1KMT2ACYP1A2ALDH1A1POLB
SCHEMBL8286520 0.72 AKR1C1 (0.37) MEN1KMT2ACYP1A2ALDH1A1POLB
SCHEMBL4899788 0.72 AKR1C1 (0.37) MEN1KMT2ACYP1A2ALDH1A1POLB
SCHEMBL13376419 0.72 AKR1C1 (0.37) MEN1KMT2ACYP1A2ALDH1A1POLB
SCHEMBL4142827 0.71 ALDH1A1 (0.34) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL576510 0.70 KMT2A (0.40) MMP2MMP9MEN1KMT2ACYP1A2
SCHEMBL2763929 0.67 MEN1 (0.35) MEN1KMT2ATSHR
SCHEMBL8034198 0.66 MMP2 (0.39) MMP2MMP9BACE1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 MMP2 3679/4885MMP9 4036/4885BACE1 586/4885

“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.