SCHEMBL434337

SCHEMBL434337

C[CH]C1Cc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.41
MAOB P27338 6/20 0.41
AOC2 O75106 5/20 0.41
DAO P14920 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
HRH3 Q9Y5N1 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NISCH Q9Y2I1 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
CYP19A1 P11511 1/20 0.33

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
SCHEMBL1568271 0.81 CA2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21101519 0.80 KDM4E (0.49) MAOAMAOBAOC2DAOCHRM2
SCHEMBL451210 0.80 MAOB (0.41) MAOAMAOBAOC2DAOCHRM2
SCHEMBL6209606 0.80 MAOB (0.41) MAOAMAOBAOC2DAOCHRM2
SCHEMBL28842254 0.80 MAOB (0.49) MAOAMAOBAOC2DAOCHRM2
SCHEMBL12060988 0.80 HRH3 (0.49) MAOAMAOBAOC2DAOCHRM2
SCHEMBL30142986 0.80 HRH3 (0.49) MAOAMAOBAOC2DAOCHRM2
SCHEMBL334480 0.80 HRH3 (0.49) MAOAMAOBAOC2DAOCHRM2
SCHEMBL10508395 0.79 MAOA (0.42) MAOAMAOBAOC2DAOCHRM2
SCHEMBL9113367 0.77 HRH3 (0.40) MAOAMAOBAOC2DAOCHRM2

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 disclosed
US-10093611-B2 Benzocycloalkenes as antifungal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-10-09 US disclosed
EP-2595961-B1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS BAYER IP GMBH (DE) 2017-07-19 EP 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
CN-1193020-C Process for preparing amic acid esters IHARA CHEMICAL IND CO (JP) 2005-03-16 CN disclosed
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 EP disclosed
US-6576765-B2 Process for preparing amic acid esters IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-06-10 US disclosed
CN-1366523-A Process for preparing amic acid esters IHARA CHEMICAL IND CO (JP) 2002-08-28 CN disclosed
EP-1182199-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2002-02-27 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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 MAOA 1796/4885MAOB 1680/4885AOC2 373/4885
US-20160023987-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS CYP51A1, ERG28, CBR1 MAOA 1922/4885MAOB 1381/4885AOC2 116/4885
US-10093611-B2 Benzocycloalkenes as antifungal agents CYP51A1, ERG28, CBR1 MAOA 1922/4885MAOB 1381/4885AOC2 116/4885
US-20130123322-A1 BENZOCYCLOALKENES AS ANTIFUNGAL AGENTS CYP51A1, ERG28, CBR1 MAOA 1922/4885MAOB 1381/4885AOC2 116/4885

“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.