SCHEMBL461002

SCHEMBL461002

c1ccc2c(c1)CC(NC1CC1)CO2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GRIN2B Q13224 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
P2RX7 Q99572 1/20 0.40
MALT1 Q9UDY8 2/20 0.40
GBA1 P04062 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR1A P08908 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL8394389 0.80 MALT1 (0.46) TP53LMNAPOLBNISCHMALT1
SCHEMBL11067202 0.80 TP53 (0.49) TP53LMNAPOLBNISCHMALT1
SCHEMBL8394386 0.80 MALT1 (0.46) TP53LMNAPOLBNISCHMALT1
SCHEMBL8394387 0.80 MALT1 (0.46) TP53LMNAPOLBNISCHMALT1
Hydrochloric Acid SCHEMBL21810865 0.79 TP53 (0.45) TP53LMNAPOLBNISCHMALT1
SCHEMBL433595 0.76 GRIN2B (0.52) GRIN2BSIGMAR1
SCHEMBL9501240 0.76 TP53 (0.43) TP53LMNAPOLBMALT1MAPT
SCHEMBL28148475 0.75 TP53 (0.57) TP53LMNAPOLBP2RX7MALT1
SCHEMBL22543461 0.73 TP53 (0.47) TP53LMNAPOLBGRIN2BP2RX7
SCHEMBL5239331 0.73 SIGMAR1 (0.49) TP53LMNAPOLBSIGMAR1MAPT

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 17 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
CN-103003246-B As the benzo ring alkene of anti-mycotic agent BAYER CROPSCIENCE AG (DE) 2015-11-25 CN 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
CN-103003246-B As the benzo ring alkene of anti-mycotic agent BAYER CROPSCIENCE AG (DE) 2015-11-25 CN 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 TP53 4570/4885LMNA 2084/4885POLB 3888/4885
US-10093611-B2 Benzocycloalkenes as antifungal agents CYP51A1, ERG28, CBR1 TP53 4570/4885LMNA 2084/4885POLB 3888/4885
US-20130123322-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS CYP51A1, ERG28, CBR1 TP53 4570/4885LMNA 2084/4885POLB 3888/4885

“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.