SCHEMBL13786363

SCHEMBL13786363

Cc1ccc(-n2ccc3ccccc32)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.56
CYP19A1 P11511 1/20 0.47
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42

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
SCHEMBL13314103 0.88 BIRC5 (0.54) BIRC5CYP19A1ALDH1A1HPGDKMT2A
SCHEMBL28891856 0.85 BIRC5 (0.51) BIRC5CYP19A1ALDH1A1KMT2APRKD3
SCHEMBL29896840 0.85 BIRC5 (0.51) BIRC5CYP19A1ALDH1A1KMT2APRKD3
SCHEMBL17752347 0.85 BIRC5 (0.51) BIRC5CYP19A1ALDH1A1KMT2APRKD3
SCHEMBL31310569 0.79 BIRC5 (0.61) BIRC5CYP19A1ALDH1A1KMT2APRKD3
SCHEMBL6190919 0.79 BIRC5 (0.61) BIRC5CYP19A1ALDH1A1KMT2APRKD3
SCHEMBL4426563 0.79 BIRC5 (0.67) BIRC5CYP19A1ALDH1A1KMT2APRKD3
SCHEMBL29733475 0.79 BIRC5 (0.67) BIRC5CYP19A1ALDH1A1KMT2APRKD3
SCHEMBL11910172 0.79 BIRC5 (0.60) BIRC5ALDH1A1HPGDKMT2APRKD3
SCHEMBL5659848 0.79 BIRC5 (0.51) BIRC5ALDH1A1HPGDKMT2APRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 EP disclosed
EP-2583958-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Institute of Technology (MIT) (US) 2013-04-24 EP disclosed
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-02-07 US disclosed
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-02-07 US disclosed
US-7247731-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-07-24 US disclosed
US-7247731-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-07-24 US disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 US disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 US 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-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon THEM6, SOD1, SLC30A6 BIRC5 1976/4885CYP19A1 2750/4885ALDH1A1 2074/4885

“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.