SCHEMBL4633675

SCHEMBL4633675

O=C(Cc1ccccc1)OC1(O)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
PAM P19021 1/20 0.46
TSHR P16473 1/20 0.45
ADRB2 P07550 1/20 0.43
HTT P42858 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
AKR1B1 P15121 1/20 0.42
MGLL Q99685 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.41
FAAH O00519 1/20 0.41
CETP P11597 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL28510969 0.98 ALDH1A1 (0.49) CYP19A1ALDH1A1L3MBTL1MAPK1PAM
SCHEMBL27682051 0.94 CYP19A1 (0.46) CYP19A1ALDH1A1L3MBTL1MAPK1PAM
SCHEMBL4682195 0.91 ALDH1A1 (0.52) CYP19A1ALDH1A1L3MBTL1MAPK1PAM
SCHEMBL27655982 0.88 SRD5A2 (0.48) CYP19A1EPHX2FAAH
SCHEMBL27675998 0.87 CYP19A1 (0.43) CYP19A1ALDH1A1L3MBTL1MAPK1ADRB2
SCHEMBL27676012 0.85 FAAH (0.46) ALDH1A1SMN1; SMN2FAAHCETP
SCHEMBL5729921 0.82 EPHX2 (0.49) CYP19A1ALDH1A1EPHX2MEN1KMT2A
SCHEMBL27681878 0.82 CYP19A1 (0.41) CYP19A1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL27675987 0.79 MEN1 (0.52) ALDH1A1L3MBTL1HTTSMN1; SMN2MEN1
SCHEMBL28668672 0.79 TDP1 (0.54) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115216168-A Ultraviolet-curable coating composition 株式会社KCC 2022-10-21 CN disclosed
CN-110621746-B Ultraviolet-curable coating composition 株式会社KCC 2021-09-21 CN disclosed
EP-1546098-B1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2008-05-28 EP disclosed
US-7265147-B2 3,6-disubstituted azabicyclo [3.1.0]hexane derivatives useful as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-04 US disclosed
EP-1546098-A4 3,6-DISUBSTITUTED AZABICYCLO ¬3.1.0|HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2006-08-23 EP disclosed
US-20060122253-A1 3,6-disubstituted azabicyclo [3.1.0]hexane derivatives useful as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-06-08 US disclosed
EP-1546098-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2005-06-29 EP disclosed
WO-2004014853-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-02-19 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-20060122253-A1 3,6-disubstituted azabicyclo [3.1.0]hexane derivatives useful as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 CYP19A1 1466/4885ALDH1A1 738/4885L3MBTL1 3844/4885

“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.