SCHEMBL7787097

SCHEMBL7787097

COc1ccc2c(c1)C(=O)C(=Cc1ccccc1)C2

nearest known ligand 0.87

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.87
ACHE P22303 6/20 0.74
BCHE P06276 3/20 0.74
CES2 O00748 2/20 0.68
MIF P14174 5/20 0.67
CYP19A1 P11511 2/20 0.66
MAOA P21397 5/20 0.65
BACE1 P56817 1/20 0.62
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL7787095 1.00 MAOB (0.87) MAOBACHEBCHECES2MIF
SCHEMBL30667154 1.00 MAOB (0.87) MAOBACHEBCHECES2MIF
SCHEMBL5582417 0.93 MAOB (1.00) MAOBACHEBCHECES2MIF
SCHEMBL5582418 0.93 MAOB (1.00) MAOBACHEBCHECES2MIF
SCHEMBL14524721 0.93 MAOB (1.00) MAOBACHEBCHECES2MIF
SCHEMBL29038294 0.92 CES2 (0.80) MAOBACHEBCHECES2MIF
SCHEMBL29038289 0.92 CES2 (0.80) MAOBACHEBCHECES2MIF
SCHEMBL29038272 0.86 CES2 (0.69) MAOBACHEBCHECES2MIF
SCHEMBL29038270 0.86 CES2 (0.69) MAOBACHEBCHECES2MIF
SCHEMBL8010257 0.84 ACHE (0.74) MAOBACHEMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220053-B1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-11 EP disclosed
US-20090111804-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2a JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
WO-2009055548-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-30 WO disclosed
EP-0848699-B1 BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-10-24 EP disclosed
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
US-5922771-A MELATONIN RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-13 US disclosed
EP-0848699-A1 BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-06-24 EP disclosed
WO-1997005098-A1 BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-02-13 WO disclosed
EP-0313295-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 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 (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-20090111804-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2a ADORA2A, ADORA2B, ADORA3 MAOB 68/4885ACHE 977/4885BCHE 2003/4885

“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.