SCHEMBL434889

SCHEMBL434889

c1ccc2c(c1)CC(CNC1CC1)O2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
LMNA P02545 1/20 0.43
HTR1A P08908 5/20 0.43
HTR1D P28221 4/20 0.43
GPBAR1 Q8TDU6 1/20 0.41
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
AOC2 O75106 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL10850175 0.80 CA2 (0.58) CA2LMNAHTR1AHTR1D
SCHEMBL11884680 0.79 CA2 (0.47) CA2HRH3HTR1AHTR1DGPBAR1
SCHEMBL1485141 0.79 HRH3 (0.49) CA2HRH3HTR1AHTR1DGPBAR1
SCHEMBL13181762 0.79 HRH3 (0.46) CA2HRH3HTR1AHTR1DGPBAR1
SCHEMBL1485140 0.79 HRH3 (0.49) CA2HRH3HTR1AHTR1DGPBAR1
SCHEMBL12095181 0.75 HRH3 (0.46) CA2HRH3HTR1AHTR1DGPBAR1
SCHEMBL8035957 0.74 DRD2 (0.53)
SCHEMBL434472 0.74 SIGMAR1 (0.48) CA2LMNAHTR1A
SCHEMBL13936947 0.73 GPBAR1 (0.46) CA2HRH3HTR1AHTR1DGPBAR1
SCHEMBL17753764 0.73 MTNR1A (0.65) CA2LMNAGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181550-B1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER IP GMBH (DE) 2019-11-20 EP claimed
US-10093611-B2 Benzocycloalkenes as antifungal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-10-09 US claimed
EP-3181550-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS Bayer Intellectual Property GmbH (DE) 2017-06-21 EP claimed
US-20160023987-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-28 US claimed
EP-2595961-A2 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS Bayer Intellectual Property GmbH (DE) 2013-05-29 EP claimed
US-20130123322-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US claimed
WO-2012010579-A2 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER CROPSCIENCE AG (DE) 2012-01-26 WO claimed
EP-3181550-B1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER IP GMBH (DE) 2019-11-20 EP disclosed
US-10093611-B2 Benzocycloalkenes as antifungal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-10-09 US disclosed
EP-3181550-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS Bayer Intellectual Property GmbH (DE) 2017-06-21 EP disclosed
US-20160023987-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-28 US disclosed
US-9173399-B2 Benzocycloalkenes as antifungal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
EP-2595961-A2 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS Bayer Intellectual Property GmbH (DE) 2013-05-29 EP disclosed
US-20130123322-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
WO-2012010579-A2 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER CROPSCIENCE AG (DE) 2012-01-26 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 (3 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-20160023987-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS CYP51A1, ERG28, CBR1 CA2 1375/4885HRH3 2799/4885LMNA 2084/4885
US-10093611-B2 Benzocycloalkenes as antifungal agents CYP51A1, ERG28, CBR1 CA2 1375/4885HRH3 2799/4885LMNA 2084/4885
US-20130123322-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS CYP51A1, ERG28, CBR1 CA2 1375/4885HRH3 2799/4885LMNA 2084/4885

“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.