SCHEMBL2766136

SCHEMBL2766136

Clc1ccc2c(c1)oc1c[c]ccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 9/20 0.56
TTR P02766 2/20 0.41
MCL1 Q07820 1/20 0.39
CDC25A P30304 1/20 0.38
CDC25C P30307 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
PSMB8 P28062 2/20 0.37
DAO P14920 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PSMB5 P28074 1/20 0.34

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
SCHEMBL2763878 0.87 AHR (0.55) AHRTTRMCL1CA1CA2
SCHEMBL22737968 0.82 AHR (0.78) AHRTTRMCL1CDC25ACDC25C
SCHEMBL1461411 0.82 KDM4E (0.33) KDM4EALDH1A1LMNAMAPTALOX15
SCHEMBL7414141 0.78 TTR (0.54) AHRTTRCA1CA2DAO
SCHEMBL21295744 0.78 MAOB (0.45) CDC25ACDC25CPSMB8KDM4EALDH1A1
SCHEMBL20209148 0.78 AHR (0.72) AHRTTRMCL1CDC25ACDC25C
SCHEMBL30170495 0.78 AHR (0.72) AHRTTRMCL1CDC25ACDC25C
SCHEMBL20208918 0.78 AHR (0.72) AHRTTRMCL1CDC25ACDC25C
SCHEMBL22078192 0.76 AHR (0.69) AHRTTRMCL1CDC25ACDC25C
SCHEMBL1927485 0.74 AHR (0.56) AHRTTRMCL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244641-B1 1,4-CYCLOHEXANE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BASF Aktiengesellschaft (DE) 1991-08-21 EP claimed
EP-0244641-A2 1,4-Cyclohexane diamines, process for their preparation and their use as fungicides BASF Aktiengesellschaft (DE) 1987-11-11 EP claimed
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-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
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO disclosed
EP-0244641-B1 1,4-CYCLOHEXANE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BASF Aktiengesellschaft (DE) 1991-08-21 EP disclosed
EP-0244641-A2 1,4-Cyclohexane diamines, process for their preparation and their use as fungicides BASF Aktiengesellschaft (DE) 1987-11-11 EP 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 (4 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-20060199826-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 AHR 510/4885TTR 2539/4885MCL1 2498/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 AHR 528/4885TTR 2571/4885MCL1 2526/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 AHR 528/4885TTR 2571/4885MCL1 2526/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 AHR 566/4885TTR 2543/4885MCL1 2497/4885

“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.