SCHEMBL2763715

SCHEMBL2763715

CC(C)(C)OC(=O)[C@]1(C(=O)O)C[C@]1(CO)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRM1 P35372 6/20 0.34
OPRD1 P41143 5/20 0.34
OPRK1 P41145 5/20 0.34
RORC P51449 1/20 0.33
TACR1 P25103 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
KCNH2 Q12809 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL2763713 1.00 ABCB1 (0.36) ABCB1MEN1KMT2AOPRM1OPRD1
SCHEMBL3316787 0.81 TOP2A (0.39) ABCB1MEN1KMT2AOPRM1OPRD1
SCHEMBL13398146 0.81 TOP2A (0.39) ABCB1MEN1KMT2AOPRM1OPRD1
SCHEMBL3316784 0.81 TOP2A (0.39) ABCB1MEN1KMT2AOPRM1OPRD1
SCHEMBL7379460 0.77 MEN1 (0.38) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL2765670 0.76 CA12 (0.37) ABCB1MEN1KMT2AATMCA12
SCHEMBL2765396 0.76 CA12 (0.37) ABCB1MEN1KMT2AATMCA12
SCHEMBL2765398 0.76 CA12 (0.37) ABCB1MEN1KMT2AATMCA12
SCHEMBL5945592 0.76 CA12 (0.37) ABCB1MEN1KMT2AATMCA12
SCHEMBL6058378 0.76 CA12 (0.37) ABCB1MEN1KMT2AATMCA12

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 10 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
EP-1694410-B1 CYCLOPROPANE DERIVATIVES AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2010-04-14 EP disclosed
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 US disclosed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 US disclosed
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2006-09-07 US disclosed
EP-1694410-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP disclosed
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2005-10-06 US disclosed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 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 (6 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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 ABCB1 611/4885MEN1 1376/4885KMT2A 2518/4885
US-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ABCB1 405/4885MEN1 1818/4885KMT2A 3146/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 ABCB1 413/4885MEN1 1841/4885KMT2A 3165/4885
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 ABCB1 661/4885MEN1 1233/4885KMT2A 2446/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ABCB1 413/4885MEN1 1841/4885KMT2A 3165/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ABCB1 421/4885MEN1 1832/4885KMT2A 3074/4885

“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.