SCHEMBL4074898

SCHEMBL4074898

Cc1ccc(OC(C)Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TEAD4 Q15561 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
NLRP1 Q9C000 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
RELA Q04206 1/20 0.37
ALDH1A3 P47895 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
PPARG P37231 2/20 0.35

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
SCHEMBL17911615 0.89 ALDH1A3 (0.41) KMT2AALDH1A1POLBCA1CA2
SCHEMBL6516593 0.80 ACHE (0.46) ACHEKMT2AMEN1TDP1CYP3A4
SCHEMBL28835255 0.80 CA1 (0.55) ACHETDP1CYP3A4ALDH1A1MAPT
SCHEMBL4163652 0.80 LDHA (0.48) KMT2AMEN1TDP1TSHRALDH1A1
SCHEMBL1162019 0.79 ACHE (0.50) ACHEKMT2AMEN1TDP1CYP3A4
SCHEMBL104201 0.79 ALDH1A3 (0.54) ACHEKMT2AMEN1TDP1CYP3A4
SCHEMBL11239191 0.78 ESR2 (0.46) KMT2AMEN1TDP1CYP3A4ALDH1A1
SCHEMBL14150498 0.78 SLC2A1 (0.41) KMT2AMEN1TDP1TSHRALDH1A1
SCHEMBL3053959 0.78 ALDH1A1 (0.47) ACHEKMT2AMEN1ALDH1A1MAPT
SCHEMBL6802075 0.78 POLB (0.47) ALDH1A1POLBLMNASLC6A4PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488748-B2 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-02-10 US disclosed
CN-101230049-A Hydroxamic acid histone deacetylase inhibitor as well as preparation method and use thereof UNIV CHINA PHARMA (CN) 2008-07-30 CN disclosed
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-11-02 US disclosed
EP-1590325-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP disclosed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 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 (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-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 ACHE 62/4885KMT2A 3801/4885MEN1 2211/4885

“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.