SCHEMBL13398136

SCHEMBL13398136

O=C(O)[C@]12CC1(c1ccccc1)COC2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.37
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 2/20 0.33
ATM Q13315 2/20 0.33
PPME1 Q9Y570 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL13376419 1.00 AKR1C1 (0.37) AKR1C1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4899788 1.00 AKR1C1 (0.37) AKR1C1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8286520 1.00 AKR1C1 (0.37) AKR1C1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL2764770 0.80 MEN1 (0.35) MEN1KMT2AATMPPME1
SCHEMBL2763929 0.80 MEN1 (0.35) MEN1KMT2AATMPPME1
SCHEMBL2785260 0.80 MEN1 (0.35) MEN1KMT2AATMPPME1
SCHEMBL2764897 0.80 MEN1 (0.35) MEN1KMT2AATMPPME1
SCHEMBL2118178 0.72 MMP2 (0.39) MEN1KMT2ASMN1; SMN2HSD11B1CYP1A2
SCHEMBL2610425 0.72 MMP2 (0.39) MEN1KMT2ASMN1; SMN2HSD11B1CYP1A2
SCHEMBL7602755 0.69 AKR1C1 (0.50) AKR1C1MEN1KMT2ASMN1; SMN2L3MBTL1

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-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 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 (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-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 AKR1C1 217/4885MEN1 1841/4885KMT2A 3165/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 AKR1C1 217/4885MEN1 1841/4885KMT2A 3165/4885

“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.